N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide

C58H58F8N6O3 — CID 162037699

IUPACN-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C(F)(F)F)cc1.CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(F)(F)C(F)(F)F)cc1.CCCc1ccc(Cn2ccc3cc(NC(C)=O)ccc32)cc1
InChIInChI=1S/C20H22N2O.C19H17F5N2O.C19H19F3N2O/c1-3-4-16-5-7-17(8-6-16)14-22-12-11-18-13-19(21-15(2)23)9-10-20(18)22;1-12(27)25-16-6-7-17-14(10-16)8-9-26(17)11-13-2-4-15(5-3-13)18(20,21)19(22,23)24;1-13(25)23-17-8-9-18-15(11-17)3-2-10-24(18)12-14-4-6-16(7-5-14)19(20,21)22/h5-13H,3-4,14H2,1-2H3,(H,21,23);2-7,10H,8-9,11H2,1H3,(H,25,27);4-9,11H,2-3,10,12H2,1H3,(H,23,25)
InChIKeyYWWDSTJAECOYHH-UHFFFAOYSA-N
MW1039.12 g/mol
LogP14.08
Rot. Bonds12

About N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide

N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide (PubChem CID 162037699) has the molecular formula C58H58F8N6O3 and a molecular weight of 1039.12 g/mol. Its IUPAC name is N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
PubChem CID162037699
Molecular FormulaC58H58F8N6O3
Molecular Weight1039.12 g/mol
Exact Mass1038.44
IUPAC NameN-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C(F)(F)F)cc1.CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(F)(F)C(F)(F)F)cc1.CCCc1ccc(Cn2ccc3cc(NC(C)=O)ccc32)cc1
InChIInChI=1S/C20H22N2O.C19H17F5N2O.C19H19F3N2O/c1-3-4-16-5-7-17(8-6-16)14-22-12-11-18-13-19(21-15(2)23)9-10-20(18)22;1-12(27)25-16-6-7-17-14(10-16)8-9-26(17)11-13-2-4-15(5-3-13)18(20,21)19(22,23)24;1-13(25)23-17-8-9-18-15(11-17)3-2-10-24(18)12-14-4-6-16(7-5-14)19(20,21)22/h5-13H,3-4,14H2,1-2H3,(H,21,23);2-7,10H,8-9,11H2,1H3,(H,25,27);4-9,11H,2-3,10,12H2,1H3,(H,23,25)
InChIKeyYWWDSTJAECOYHH-UHFFFAOYSA-N
XLogP14.08
TPSA98.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.12
LogP ≤ 514.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide with MolForge

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Related Compounds

1H-Indole-7-methanamine, 1-methyl-N-[3-[3-(phenylmethyl)-8-(trifluoromethyl)-4-quinolinyl]phenyl]-
CID 45273258
N-(1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide
CID 146296943
N-(3-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide
CID 146296948
9-(3-Aminoanilino)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 155249690
N-(1-(4-(trifluoromethyl)benzyl)-1H-indol-5-yl)heptanamide
CID 155491024
3,3-dimethyl-N-(1-(4-(trifluoromethyl)benzyl)-1H-indol-5-yl)butanamide
CID 155491025
N-[1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]indol-5-yl]prop-2-enamide
CID 156881358
1-[4-(1-Benzyl-2,3-dihydropyrrolo[2,3-g]quinolin-8-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 44534336
N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]quinolin-6-amine;2,2,2-trifluoroacetic acid
CID 44535143
N-(6-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide
CID 164615988
N-(1,3-dimethylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide
CID 164618806
(E)-1-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 44534238

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The IUPAC name of N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide (CID 162037699) is N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide.
What is the SMILES notation for N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The canonical SMILES for N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide is CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C(F)(F)F)cc1.CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(F)(F)C(F)(F)F)cc1.CCCc1ccc(Cn2ccc3cc(NC(C)=O)ccc32)cc1.
What is the InChIKey of N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The InChIKey is YWWDSTJAECOYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O.C19H17F5N2O.C19H19F3N2O/c1-3-4-16-5-7-17(8-6-16)14-22-12-11-18-13-19(21-15(2)23)9-10-20(18)22;1-12(27)25-16-6-7-17-14(10-16)8-9-26(17)11-13-2-4-15(5-3-13)18(20,21)19(22,23)24;1-13(25)23-17-8-9-18-15(11-17)3-2-10-24(18)12-14-4-6-16(7-5-14)19(20,21)22/h5-13H,3-4,14H2,1-2H3,(H,21,23);2-7,10H,8-9,11H2,1H3,(H,25,27);4-9,11H,2-3,10,12H2,1H3,(H,23,25).
What are the key properties of N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide has a molecular weight of 1039.12 g/mol, XLogP of 14.08, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide is sourced from PubChem (CID 162037699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).