(3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide

C27H27ClN2O — CID 93123805

IUPAC(3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
SMILESCCc1cccc2c([C@@H](CC(=O)N[C@@H](C)c3ccccc3)c3ccccc3Cl)c[nH]c12
InChIInChI=1S/C27H27ClN2O/c1-3-19-12-9-14-22-24(17-29-27(19)22)23(21-13-7-8-15-25(21)28)16-26(31)30-18(2)20-10-5-4-6-11-20/h4-15,17-18,23,29H,3,16H2,1-2H3,(H,30,31)/t18-,23-/m0/s1
InChIKeyYTVROIPBIZOXQL-MBSDFSHPSA-N
MW430.98 g/mol
LogP6.78
Rot. Bonds7

About (3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide

(3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 93123805) has the molecular formula C27H27ClN2O and a molecular weight of 430.98 g/mol. Its IUPAC name is (3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
PubChem CID93123805
Molecular FormulaC27H27ClN2O
Molecular Weight430.98 g/mol
Exact Mass430.18
IUPAC Name(3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
SMILESCCc1cccc2c([C@@H](CC(=O)N[C@@H](C)c3ccccc3)c3ccccc3Cl)c[nH]c12
InChIInChI=1S/C27H27ClN2O/c1-3-19-12-9-14-22-24(17-29-27(19)22)23(21-13-7-8-15-25(21)28)16-26(31)30-18(2)20-10-5-4-6-11-20/h4-15,17-18,23,29H,3,16H2,1-2H3,(H,30,31)/t18-,23-/m0/s1
InChIKeyYTVROIPBIZOXQL-MBSDFSHPSA-N
XLogP6.78
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.98
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123806
(3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 93123779
(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123778
3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 42804500
3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803855
3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 4102874
N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 42802298
3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-N-(4-phenylbutan-2-yl)propanamide
CID 42802343
N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 42804555
(3S)-3-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93122210
(3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanamide
CID 93123831
3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 24718694

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of (3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide (CID 93123805) is (3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for (3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for (3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide is CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)c3ccccc3)c3ccccc3Cl)c[nH]c12.
What is the InChIKey of (3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is YTVROIPBIZOXQL-MBSDFSHPSA-N. The full InChI is InChI=1S/C27H27ClN2O/c1-3-19-12-9-14-22-24(17-29-27(19)22)23(21-13-7-8-15-25(21)28)16-26(31)30-18(2)20-10-5-4-6-11-20/h4-15,17-18,23,29H,3,16H2,1-2H3,(H,30,31)/t18-,23-/m0/s1.
What are the key properties of (3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide?
(3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 430.98 g/mol, XLogP of 6.78, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 93123805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).