4-chloro-N-(2-cyclopentyloxyethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-phenylethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(4,4-difluoropentyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(oxetan-3-yl)indole-3-carboxamide

C79H90Cl4F2N8O11 — CID 159201862

IUPAC4-chloro-N-(2-cyclopentyloxyethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-phenylethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(4,4-difluoropentyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(oxetan-3-yl)indole-3-carboxamide
SMILESCC(F)(F)CCCNC(=O)c1cn(C2COC2)c2cccc(Cl)c12.CC1(CCNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)OCCO1.O=C(NCC(c1ccccc1)C1CCCC1)c1cn(C2COC2)c2cccc(Cl)c12.O=C(NCCOC1CCCC1)c1cn(C2COC2)c2cccc(Cl)c12
InChIInChI=1S/C25H27ClN2O2.C19H23ClN2O3.C18H21ClN2O4.C17H19ClF2N2O2/c26-22-11-6-12-23-24(22)21(14-28(23)19-15-30-16-19)25(29)27-13-20(18-9-4-5-10-18)17-7-2-1-3-8-17;20-16-6-3-7-17-18(16)15(10-22(17)13-11-24-12-13)19(23)21-8-9-25-14-4-1-2-5-14;1-18(24-7-8-25-18)5-6-20-17(22)13-9-21(12-10-23-11-12)15-4-2-3-14(19)16(13)15;1-17(19,20)6-3-7-21-16(23)12-8-22(11-9-24-10-11)14-5-2-4-13(18)15(12)14/h1-3,6-8,11-12,14,18-20H,4-5,9-10,13,15-16H2,(H,27,29);3,6-7,10,13-14H,1-2,4-5,8-9,11-12H2,(H,21,23);2-4,9,12H,5-8,10-11H2,1H3,(H,20,22);2,4-5,8,11H,3,6-7,9-10H2,1H3,(H,21,23)
InChIKeyKPJVBDNLQYSVRG-UHFFFAOYSA-N
MW1507.44 g/mol
LogP15.90
Rot. Bonds23

About 4-chloro-N-(2-cyclopentyloxyethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-phenylethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(4,4-difluoropentyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(oxetan-3-yl)indole-3-carboxamide

4-chloro-N-(2-cyclopentyloxyethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-phenylethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(4,4-difluoropentyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(oxetan-3-yl)indole-3-carboxamide (PubChem CID 159201862) has the molecular formula C79H90Cl4F2N8O11 and a molecular weight of 1507.44 g/mol. Its IUPAC name is 4-chloro-N-(2-cyclopentyloxyethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-phenylethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(4,4-difluoropentyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(oxetan-3-yl)indole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyclopentyloxyethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-phenylethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(4,4-difluoropentyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(oxetan-3-yl)indole-3-carboxamide
PubChem CID159201862
Molecular FormulaC79H90Cl4F2N8O11
Molecular Weight1507.44 g/mol
Exact Mass1504.55
IUPAC Name4-chloro-N-(2-cyclopentyloxyethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-phenylethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(4,4-difluoropentyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(oxetan-3-yl)indole-3-carboxamide
SMILESCC(F)(F)CCCNC(=O)c1cn(C2COC2)c2cccc(Cl)c12.CC1(CCNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)OCCO1.O=C(NCC(c1ccccc1)C1CCCC1)c1cn(C2COC2)c2cccc(Cl)c12.O=C(NCCOC1CCCC1)c1cn(C2COC2)c2cccc(Cl)c12
InChIInChI=1S/C25H27ClN2O2.C19H23ClN2O3.C18H21ClN2O4.C17H19ClF2N2O2/c26-22-11-6-12-23-24(22)21(14-28(23)19-15-30-16-19)25(29)27-13-20(18-9-4-5-10-18)17-7-2-1-3-8-17;20-16-6-3-7-17-18(16)15(10-22(17)13-11-24-12-13)19(23)21-8-9-25-14-4-1-2-5-14;1-18(24-7-8-25-18)5-6-20-17(22)13-9-21(12-10-23-11-12)15-4-2-3-14(19)16(13)15;1-17(19,20)6-3-7-21-16(23)12-8-22(11-9-24-10-11)14-5-2-4-13(18)15(12)14/h1-3,6-8,11-12,14,18-20H,4-5,9-10,13,15-16H2,(H,27,29);3,6-7,10,13-14H,1-2,4-5,8-9,11-12H2,(H,21,23);2-4,9,12H,5-8,10-11H2,1H3,(H,20,22);2,4-5,8,11H,3,6-7,9-10H2,1H3,(H,21,23)
InChIKeyKPJVBDNLQYSVRG-UHFFFAOYSA-N
XLogP15.90
TPSA200.73 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001507.44
LogP ≤ 515.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(2-cyclopentyloxyethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-phenylethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(4,4-difluoropentyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(oxetan-3-yl)indole-3-carboxamide with MolForge

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Related Compounds

tert-butyl 3-[4-chloro-3-[3-(4,4-difluorocyclohexyl)propanoyl]indol-1-yl]pyrrolidine-1-carboxylate;tert-butyl 3-hydroxypyrrolidine-1-carboxylate;1-(4-chloro-1H-indol-3-yl)-3-(4,4-difluorocyclohexyl)propan-1-one;1-(4-chloro-1-pyrrolidin-3-ylindol-3-yl)-3-(4,4-difluorocyclohexyl)propan-1-one
CID 157229381
4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxolan-2-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)-1-hydroxycyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-cyclohexylpropan-1-one;1-[4-chloro-1-(oxolan-2-yl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-2-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one
CID 157496769
tert-butyl 2-[[4-chloro-3-[3-(4,4-difluorocyclohexyl)propanoyl]indol-1-yl]methyl]pyrrolidine-1-carboxylate;1-(4-chloro-1H-indol-3-yl)-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-(pyrrolidin-2-ylmethyl)indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;cyclopentylmethanol
CID 157562869
4-chloro-1-(3,3-difluoropropyl)-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(3,3,3-trifluoropropyl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(3,3,3-trifluoropropyl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one
CID 157803223
4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]indole-3-carboxamide;1-[4-chloro-1-[[(2S)-oxolan-2-yl]methyl]indol-3-yl]-3-[(1R)-3,3-difluoro-1-hydroxycyclohexyl]propan-1-one;1-[4-chloro-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-[[(2S)-oxolan-2-yl]methyl]indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one
CID 158234743
1-[1-[[(2S)-1-acetylazetidin-2-yl]methyl]-4-chloroindol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;4-chloro-1-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(3-fluoro-1-hydroxy-3-methylcyclohexyl)methyl]-1-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide
CID 158290753
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4-chloro-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(3,3-difluorobutyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(2-fluoropropyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(oxan-3-ylmethyl)-1-(oxetan-3-yl)indole-3-carboxamide
CID 158298456
tert-butyl (2S)-2-[[4-chloro-3-[3-(4,4-difluorocyclohexyl)propanoyl]indol-1-yl]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;1-(4-chloro-1H-indol-3-yl)-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one
CID 158325679
4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one
CID 158519155
4-chloro-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxetan-2-ylmethyl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one
CID 158767782
4-chloro-N-[[3-(1,1-difluoroethyl)-1-hydroxycyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]indole-3-carboxamide;1-[4-chloro-1-(oxolan-2-ylmethyl)indol-3-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-2-ylmethyl)indol-3-yl]-3-(3,3-difluoro-1-hydroxy-5-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-2-ylmethyl)indol-3-yl]-3-(3-ethyl-1-hydroxycyclohexyl)propan-1-one
CID 158887317
4-chloro-1-[(1-cyclopropylpyrrolidin-2-yl)methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]indole-3-carboxamide;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-hydroxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-methoxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one
CID 159133304

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyclopentyloxyethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-phenylethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(4,4-difluoropentyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(oxetan-3-yl)indole-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-cyclopentyloxyethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-phenylethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(4,4-difluoropentyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(oxetan-3-yl)indole-3-carboxamide (CID 159201862) is 4-chloro-N-(2-cyclopentyloxyethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-phenylethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(4,4-difluoropentyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(oxetan-3-yl)indole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-cyclopentyloxyethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-phenylethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(4,4-difluoropentyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(oxetan-3-yl)indole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-cyclopentyloxyethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-phenylethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(4,4-difluoropentyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(oxetan-3-yl)indole-3-carboxamide is CC(F)(F)CCCNC(=O)c1cn(C2COC2)c2cccc(Cl)c12.CC1(CCNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)OCCO1.O=C(NCC(c1ccccc1)C1CCCC1)c1cn(C2COC2)c2cccc(Cl)c12.O=C(NCCOC1CCCC1)c1cn(C2COC2)c2cccc(Cl)c12.
What is the InChIKey of 4-chloro-N-(2-cyclopentyloxyethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-phenylethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(4,4-difluoropentyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(oxetan-3-yl)indole-3-carboxamide?
The InChIKey is KPJVBDNLQYSVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O2.C19H23ClN2O3.C18H21ClN2O4.C17H19ClF2N2O2/c26-22-11-6-12-23-24(22)21(14-28(23)19-15-30-16-19)25(29)27-13-20(18-9-4-5-10-18)17-7-2-1-3-8-17;20-16-6-3-7-17-18(16)15(10-22(17)13-11-24-12-13)19(23)21-8-9-25-14-4-1-2-5-14;1-18(24-7-8-25-18)5-6-20-17(22)13-9-21(12-10-23-11-12)15-4-2-3-14(19)16(13)15;1-17(19,20)6-3-7-21-16(23)12-8-22(11-9-24-10-11)14-5-2-4-13(18)15(12)14/h1-3,6-8,11-12,14,18-20H,4-5,9-10,13,15-16H2,(H,27,29);3,6-7,10,13-14H,1-2,4-5,8-9,11-12H2,(H,21,23);2-4,9,12H,5-8,10-11H2,1H3,(H,20,22);2,4-5,8,11H,3,6-7,9-10H2,1H3,(H,21,23).
What are the key properties of 4-chloro-N-(2-cyclopentyloxyethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-phenylethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(4,4-difluoropentyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(oxetan-3-yl)indole-3-carboxamide?
4-chloro-N-(2-cyclopentyloxyethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-phenylethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(4,4-difluoropentyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(oxetan-3-yl)indole-3-carboxamide has a molecular weight of 1507.44 g/mol, XLogP of 15.90, 23 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyclopentyloxyethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-phenylethyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(4,4-difluoropentyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(oxetan-3-yl)indole-3-carboxamide is sourced from PubChem (CID 159201862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).