6-chloro-1-(2,2-dimethylpropyl)-4-methylindole;6-chloro-1-(3-methoxypropyl)-4-methylindole;6-chloro-4-methyl-1H-indene;1-(6-chloro-4-methylindol-1-yl)butan-2-one;3-(6-chloro-4-methylindol-1-yl)-N-methylpropanamide;6-chloro-4-methyl-1-(2-piperidin-1-ylethyl)indole;6-chloro-4-methyl-1-(3-piperidin-1-ylpropyl)indole;6-fluoro-4-methyl-1H-indene;2-(6-methoxy-5-methylindol-1-yl)-N,N-dimethylacetamide

C120H143Cl7FN11O5 — CID 158731855

IUPAC6-chloro-1-(2,2-dimethylpropyl)-4-methylindole;6-chloro-1-(3-methoxypropyl)-4-methylindole;6-chloro-4-methyl-1H-indene;1-(6-chloro-4-methylindol-1-yl)butan-2-one;3-(6-chloro-4-methylindol-1-yl)-N-methylpropanamide;6-chloro-4-methyl-1-(2-piperidin-1-ylethyl)indole;6-chloro-4-methyl-1-(3-piperidin-1-ylpropyl)indole;6-fluoro-4-methyl-1H-indene;2-(6-methoxy-5-methylindol-1-yl)-N,N-dimethylacetamide
SMILESCCC(=O)Cn1ccc2c(C)cc(Cl)cc21.CNC(=O)CCn1ccc2c(C)cc(Cl)cc21.COCCCn1ccc2c(C)cc(Cl)cc21.COc1cc2c(ccn2CC(=O)N(C)C)cc1C.Cc1cc(Cl)cc2c1C=CC2.Cc1cc(Cl)cc2c1ccn2CC(C)(C)C.Cc1cc(Cl)cc2c1ccn2CCCN1CCCCC1.Cc1cc(Cl)cc2c1ccn2CCN1CCCCC1.Cc1cc(F)cc2c1C=CC2
InChIInChI=1S/C17H23ClN2.C16H21ClN2.C14H18ClN.C14H18N2O2.C13H15ClN2O.C13H16ClNO.C13H14ClNO.C10H9Cl.C10H9F/c1-14-12-15(18)13-17-16(14)6-11-20(17)10-5-9-19-7-3-2-4-8-19;1-13-11-14(17)12-16-15(13)5-8-19(16)10-9-18-6-3-2-4-7-18;1-10-7-11(15)8-13-12(10)5-6-16(13)9-14(2,3)4;1-10-7-11-5-6-16(9-14(17)15(2)3)12(11)8-13(10)18-4;1-9-7-10(14)8-12-11(9)3-5-16(12)6-4-13(17)15-2;1-10-8-11(14)9-13-12(10)4-6-15(13)5-3-7-16-2;1-3-11(16)8-15-5-4-12-9(2)6-10(14)7-13(12)15;2*1-7-5-9(11)6-8-3-2-4-10(7)8/h6,11-13H,2-5,7-10H2,1H3;5,8,11-12H,2-4,6-7,9-10H2,1H3;5-8H,9H2,1-4H3;5-8H,9H2,1-4H3;3,5,7-8H,4,6H2,1-2H3,(H,15,17);4,6,8-9H,3,5,7H2,1-2H3;4-7H,3,8H2,1-2H3;2*2,4-6H,3H2,1H3
InChIKeyILESHHVWGDXLSK-UHFFFAOYSA-N
MW2086.70 g/mol
LogP31.15
Rot. Bonds21

About 6-chloro-1-(2,2-dimethylpropyl)-4-methylindole;6-chloro-1-(3-methoxypropyl)-4-methylindole;6-chloro-4-methyl-1H-indene;1-(6-chloro-4-methylindol-1-yl)butan-2-one;3-(6-chloro-4-methylindol-1-yl)-N-methylpropanamide;6-chloro-4-methyl-1-(2-piperidin-1-ylethyl)indole;6-chloro-4-methyl-1-(3-piperidin-1-ylpropyl)indole;6-fluoro-4-methyl-1H-indene;2-(6-methoxy-5-methylindol-1-yl)-N,N-dimethylacetamide

6-chloro-1-(2,2-dimethylpropyl)-4-methylindole;6-chloro-1-(3-methoxypropyl)-4-methylindole;6-chloro-4-methyl-1H-indene;1-(6-chloro-4-methylindol-1-yl)butan-2-one;3-(6-chloro-4-methylindol-1-yl)-N-methylpropanamide;6-chloro-4-methyl-1-(2-piperidin-1-ylethyl)indole;6-chloro-4-methyl-1-(3-piperidin-1-ylpropyl)indole;6-fluoro-4-methyl-1H-indene;2-(6-methoxy-5-methylindol-1-yl)-N,N-dimethylacetamide (PubChem CID 158731855) has the molecular formula C120H143Cl7FN11O5 and a molecular weight of 2086.70 g/mol. Its IUPAC name is 6-chloro-1-(2,2-dimethylpropyl)-4-methylindole;6-chloro-1-(3-methoxypropyl)-4-methylindole;6-chloro-4-methyl-1H-indene;1-(6-chloro-4-methylindol-1-yl)butan-2-one;3-(6-chloro-4-methylindol-1-yl)-N-methylpropanamide;6-chloro-4-methyl-1-(2-piperidin-1-ylethyl)indole;6-chloro-4-methyl-1-(3-piperidin-1-ylpropyl)indole;6-fluoro-4-methyl-1H-indene;2-(6-methoxy-5-methylindol-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name6-chloro-1-(2,2-dimethylpropyl)-4-methylindole;6-chloro-1-(3-methoxypropyl)-4-methylindole;6-chloro-4-methyl-1H-indene;1-(6-chloro-4-methylindol-1-yl)butan-2-one;3-(6-chloro-4-methylindol-1-yl)-N-methylpropanamide;6-chloro-4-methyl-1-(2-piperidin-1-ylethyl)indole;6-chloro-4-methyl-1-(3-piperidin-1-ylpropyl)indole;6-fluoro-4-methyl-1H-indene;2-(6-methoxy-5-methylindol-1-yl)-N,N-dimethylacetamide
PubChem CID158731855
Molecular FormulaC120H143Cl7FN11O5
Molecular Weight2086.70 g/mol
Exact Mass2081.91
IUPAC Name6-chloro-1-(2,2-dimethylpropyl)-4-methylindole;6-chloro-1-(3-methoxypropyl)-4-methylindole;6-chloro-4-methyl-1H-indene;1-(6-chloro-4-methylindol-1-yl)butan-2-one;3-(6-chloro-4-methylindol-1-yl)-N-methylpropanamide;6-chloro-4-methyl-1-(2-piperidin-1-ylethyl)indole;6-chloro-4-methyl-1-(3-piperidin-1-ylpropyl)indole;6-fluoro-4-methyl-1H-indene;2-(6-methoxy-5-methylindol-1-yl)-N,N-dimethylacetamide
SMILESCCC(=O)Cn1ccc2c(C)cc(Cl)cc21.CNC(=O)CCn1ccc2c(C)cc(Cl)cc21.COCCCn1ccc2c(C)cc(Cl)cc21.COc1cc2c(ccn2CC(=O)N(C)C)cc1C.Cc1cc(Cl)cc2c1C=CC2.Cc1cc(Cl)cc2c1ccn2CC(C)(C)C.Cc1cc(Cl)cc2c1ccn2CCCN1CCCCC1.Cc1cc(Cl)cc2c1ccn2CCN1CCCCC1.Cc1cc(F)cc2c1C=CC2
InChIInChI=1S/C17H23ClN2.C16H21ClN2.C14H18ClN.C14H18N2O2.C13H15ClN2O.C13H16ClNO.C13H14ClNO.C10H9Cl.C10H9F/c1-14-12-15(18)13-17-16(14)6-11-20(17)10-5-9-19-7-3-2-4-8-19;1-13-11-14(17)12-16-15(13)5-8-19(16)10-9-18-6-3-2-4-7-18;1-10-7-11(15)8-13-12(10)5-6-16(13)9-14(2,3)4;1-10-7-11-5-6-16(9-14(17)15(2)3)12(11)8-13(10)18-4;1-9-7-10(14)8-12-11(9)3-5-16(12)6-4-13(17)15-2;1-10-8-11(14)9-13-12(10)4-6-15(13)5-3-7-16-2;1-3-11(16)8-15-5-4-12-9(2)6-10(14)7-13(12)15;2*1-7-5-9(11)6-8-3-2-4-10(7)8/h6,11-13H,2-5,7-10H2,1H3;5,8,11-12H,2-4,6-7,9-10H2,1H3;5-8H,9H2,1-4H3;5-8H,9H2,1-4H3;3,5,7-8H,4,6H2,1-2H3,(H,15,17);4,6,8-9H,3,5,7H2,1-2H3;4-7H,3,8H2,1-2H3;2*2,4-6H,3H2,1H3
InChIKeyILESHHVWGDXLSK-UHFFFAOYSA-N
XLogP31.15
TPSA125.93 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002086.70
LogP ≤ 531.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-chloro-1-(2,2-dimethylpropyl)-4-methylindole;6-chloro-1-(3-methoxypropyl)-4-methylindole;6-chloro-4-methyl-1H-indene;1-(6-chloro-4-methylindol-1-yl)butan-2-one;3-(6-chloro-4-methylindol-1-yl)-N-methylpropanamide;6-chloro-4-methyl-1-(2-piperidin-1-ylethyl)indole;6-chloro-4-methyl-1-(3-piperidin-1-ylpropyl)indole;6-fluoro-4-methyl-1H-indene;2-(6-methoxy-5-methylindol-1-yl)-N,N-dimethylacetamide with MolForge

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Related Compounds

N-[3-[5-[[5-[[2,6-bis(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-6-[4-chloro-3-[[5-[[1-[3-(piperazine-2-carbonylamino)propyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]piperazine-2-carboxamide
CID 129203828
8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 160543493
2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;1-[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]-N-methylmethanamine;[2-[1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine
CID 160848528
1-[3-(3-chlorophenyl)-1H-isoindol-5-yl]pyrrolidin-2-one;1-[3-(4-chlorophenyl)-1H-isoindol-5-yl]pyrrolidin-2-one;1-[3-(4-methoxy-1H-indol-2-yl)-1H-isoindol-5-yl]pyrrolidin-2-one;1-[3-(5-methoxy-1H-indol-2-yl)-1H-isoindol-5-yl]pyrrolidin-2-one;1-[3-(6-methoxy-1H-indol-2-yl)-1H-isoindol-5-yl]pyrrolidin-2-one;1-[3-(1H-pyrrol-2-yl)-1H-isoindol-5-yl]pyrrolidin-2-one
CID 157736877
7-chloro-4,5-dimethyl-1H-indene;6-chloro-1-(2,2-dimethylpropyl)-4-methylindole;6-chloro-1-(3-methoxypropyl)-4-methylindole;6-chloro-4-methyl-1H-indene;1-(6-chloro-4-methylindol-1-yl)butan-2-one;4-[2-(6-chloro-4-methylindol-1-yl)ethyl]morpholine;3-(6-chloro-4-methylindol-1-yl)-N-methylpropanamide;6-chloro-4-methyl-1-(3-piperidin-1-ylpropyl)indole;6-fluoro-4-methyl-1H-indene;2-(6-methoxy-5-methylpyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylacetamide
CID 158007752
4-Chloro-1,3-dimethylindole;1,3-dimethyl-2-phenylindole;4-fluoro-1,3-dimethylindole;4-methoxy-1,3-dimethylindole;3-methyl-1,2-diphenylindole;1,2,3,5-tetramethylindole;1,3,4-trimethylindole;1,3,5-trimethylindole
CID 159022675
2-[2-acetyl-6-chloro-1-[(2-chloroquinolin-3-yl)methyl]-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;2-[2-acetyl-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-5,6-dimethylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(4-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one
CID 159570293
6-chloro-1-(2,2-dimethylpropyl)-4-methylindole;6-chloro-1-(3-methoxypropyl)-4-methylindole;6-chloro-4-methyl-1H-indene;1-(6-chloro-4-methylindol-1-yl)butan-2-one;3-(6-chloro-4-methylindol-1-yl)-N-methylpropanamide;6-chloro-4-methyl-1-(2-piperidin-1-ylethyl)indole;6-chloro-4-methyl-1-(3-piperidin-1-ylpropyl)indole;6-fluoro-4-methyl-1H-indene;2-(6-methoxy-5-methylpyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylacetamide
CID 161304189
[(1R)-1-[[(2S)-2-[[2-(2-chlorocarbazol-9-yl)acetyl]amino]-4-methylpentanoyl]amino]-3-methylbutyl]boronic acid;[(1R)-1-[[(2S)-2-[[2-(3,6-dichlorocarbazol-9-yl)acetyl]amino]-4-methylpentanoyl]amino]-3-methylbutyl]boronic acid;[(1R)-1-[[(2S)-2-[[2-(3-fluorocarbazol-9-yl)acetyl]amino]-4-methylpentanoyl]amino]-3-methylbutyl]boronic acid;[(1R)-1-[[(2S)-2-[[2-(2-methoxycarbazol-9-yl)acetyl]amino]-4-methylpentanoyl]amino]-3-methylbutyl]boronic acid;[(1R)-3-methyl-1-[[(2S)-4-methyl-2-[(2-pyrido[3,4-b]indol-9-ylacetyl)amino]pentanoyl]amino]butyl]boronic acid;[(1R)-3-methyl-1-[[(2S)-4-methyl-2-[(2-pyrido[4,3-b]indol-5-ylacetyl)amino]pentanoyl]amino]butyl]boronic acid
CID 167608536

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2,2-dimethylpropyl)-4-methylindole;6-chloro-1-(3-methoxypropyl)-4-methylindole;6-chloro-4-methyl-1H-indene;1-(6-chloro-4-methylindol-1-yl)butan-2-one;3-(6-chloro-4-methylindol-1-yl)-N-methylpropanamide;6-chloro-4-methyl-1-(2-piperidin-1-ylethyl)indole;6-chloro-4-methyl-1-(3-piperidin-1-ylpropyl)indole;6-fluoro-4-methyl-1H-indene;2-(6-methoxy-5-methylindol-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 6-chloro-1-(2,2-dimethylpropyl)-4-methylindole;6-chloro-1-(3-methoxypropyl)-4-methylindole;6-chloro-4-methyl-1H-indene;1-(6-chloro-4-methylindol-1-yl)butan-2-one;3-(6-chloro-4-methylindol-1-yl)-N-methylpropanamide;6-chloro-4-methyl-1-(2-piperidin-1-ylethyl)indole;6-chloro-4-methyl-1-(3-piperidin-1-ylpropyl)indole;6-fluoro-4-methyl-1H-indene;2-(6-methoxy-5-methylindol-1-yl)-N,N-dimethylacetamide (CID 158731855) is 6-chloro-1-(2,2-dimethylpropyl)-4-methylindole;6-chloro-1-(3-methoxypropyl)-4-methylindole;6-chloro-4-methyl-1H-indene;1-(6-chloro-4-methylindol-1-yl)butan-2-one;3-(6-chloro-4-methylindol-1-yl)-N-methylpropanamide;6-chloro-4-methyl-1-(2-piperidin-1-ylethyl)indole;6-chloro-4-methyl-1-(3-piperidin-1-ylpropyl)indole;6-fluoro-4-methyl-1H-indene;2-(6-methoxy-5-methylindol-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 6-chloro-1-(2,2-dimethylpropyl)-4-methylindole;6-chloro-1-(3-methoxypropyl)-4-methylindole;6-chloro-4-methyl-1H-indene;1-(6-chloro-4-methylindol-1-yl)butan-2-one;3-(6-chloro-4-methylindol-1-yl)-N-methylpropanamide;6-chloro-4-methyl-1-(2-piperidin-1-ylethyl)indole;6-chloro-4-methyl-1-(3-piperidin-1-ylpropyl)indole;6-fluoro-4-methyl-1H-indene;2-(6-methoxy-5-methylindol-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 6-chloro-1-(2,2-dimethylpropyl)-4-methylindole;6-chloro-1-(3-methoxypropyl)-4-methylindole;6-chloro-4-methyl-1H-indene;1-(6-chloro-4-methylindol-1-yl)butan-2-one;3-(6-chloro-4-methylindol-1-yl)-N-methylpropanamide;6-chloro-4-methyl-1-(2-piperidin-1-ylethyl)indole;6-chloro-4-methyl-1-(3-piperidin-1-ylpropyl)indole;6-fluoro-4-methyl-1H-indene;2-(6-methoxy-5-methylindol-1-yl)-N,N-dimethylacetamide is CCC(=O)Cn1ccc2c(C)cc(Cl)cc21.CNC(=O)CCn1ccc2c(C)cc(Cl)cc21.COCCCn1ccc2c(C)cc(Cl)cc21.COc1cc2c(ccn2CC(=O)N(C)C)cc1C.Cc1cc(Cl)cc2c1C=CC2.Cc1cc(Cl)cc2c1ccn2CC(C)(C)C.Cc1cc(Cl)cc2c1ccn2CCCN1CCCCC1.Cc1cc(Cl)cc2c1ccn2CCN1CCCCC1.Cc1cc(F)cc2c1C=CC2.
What is the InChIKey of 6-chloro-1-(2,2-dimethylpropyl)-4-methylindole;6-chloro-1-(3-methoxypropyl)-4-methylindole;6-chloro-4-methyl-1H-indene;1-(6-chloro-4-methylindol-1-yl)butan-2-one;3-(6-chloro-4-methylindol-1-yl)-N-methylpropanamide;6-chloro-4-methyl-1-(2-piperidin-1-ylethyl)indole;6-chloro-4-methyl-1-(3-piperidin-1-ylpropyl)indole;6-fluoro-4-methyl-1H-indene;2-(6-methoxy-5-methylindol-1-yl)-N,N-dimethylacetamide?
The InChIKey is ILESHHVWGDXLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2.C16H21ClN2.C14H18ClN.C14H18N2O2.C13H15ClN2O.C13H16ClNO.C13H14ClNO.C10H9Cl.C10H9F/c1-14-12-15(18)13-17-16(14)6-11-20(17)10-5-9-19-7-3-2-4-8-19;1-13-11-14(17)12-16-15(13)5-8-19(16)10-9-18-6-3-2-4-7-18;1-10-7-11(15)8-13-12(10)5-6-16(13)9-14(2,3)4;1-10-7-11-5-6-16(9-14(17)15(2)3)12(11)8-13(10)18-4;1-9-7-10(14)8-12-11(9)3-5-16(12)6-4-13(17)15-2;1-10-8-11(14)9-13-12(10)4-6-15(13)5-3-7-16-2;1-3-11(16)8-15-5-4-12-9(2)6-10(14)7-13(12)15;2*1-7-5-9(11)6-8-3-2-4-10(7)8/h6,11-13H,2-5,7-10H2,1H3;5,8,11-12H,2-4,6-7,9-10H2,1H3;5-8H,9H2,1-4H3;5-8H,9H2,1-4H3;3,5,7-8H,4,6H2,1-2H3,(H,15,17);4,6,8-9H,3,5,7H2,1-2H3;4-7H,3,8H2,1-2H3;2*2,4-6H,3H2,1H3.
What are the key properties of 6-chloro-1-(2,2-dimethylpropyl)-4-methylindole;6-chloro-1-(3-methoxypropyl)-4-methylindole;6-chloro-4-methyl-1H-indene;1-(6-chloro-4-methylindol-1-yl)butan-2-one;3-(6-chloro-4-methylindol-1-yl)-N-methylpropanamide;6-chloro-4-methyl-1-(2-piperidin-1-ylethyl)indole;6-chloro-4-methyl-1-(3-piperidin-1-ylpropyl)indole;6-fluoro-4-methyl-1H-indene;2-(6-methoxy-5-methylindol-1-yl)-N,N-dimethylacetamide?
6-chloro-1-(2,2-dimethylpropyl)-4-methylindole;6-chloro-1-(3-methoxypropyl)-4-methylindole;6-chloro-4-methyl-1H-indene;1-(6-chloro-4-methylindol-1-yl)butan-2-one;3-(6-chloro-4-methylindol-1-yl)-N-methylpropanamide;6-chloro-4-methyl-1-(2-piperidin-1-ylethyl)indole;6-chloro-4-methyl-1-(3-piperidin-1-ylpropyl)indole;6-fluoro-4-methyl-1H-indene;2-(6-methoxy-5-methylindol-1-yl)-N,N-dimethylacetamide has a molecular weight of 2086.70 g/mol, XLogP of 31.15, 21 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2,2-dimethylpropyl)-4-methylindole;6-chloro-1-(3-methoxypropyl)-4-methylindole;6-chloro-4-methyl-1H-indene;1-(6-chloro-4-methylindol-1-yl)butan-2-one;3-(6-chloro-4-methylindol-1-yl)-N-methylpropanamide;6-chloro-4-methyl-1-(2-piperidin-1-ylethyl)indole;6-chloro-4-methyl-1-(3-piperidin-1-ylpropyl)indole;6-fluoro-4-methyl-1H-indene;2-(6-methoxy-5-methylindol-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 158731855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).