1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide

C19H17ClN2O2 — CID 175153955

IUPAC1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)NC(C)c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C19H17ClN2O2/c1-12(14-7-3-5-9-17(14)20)21-19(24)16-11-22(13(2)23)18-10-6-4-8-15(16)18/h3-12H,1-2H3,(H,21,24)
InChIKeyITAGRQQEZUMEBI-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.45
Rot. Bonds3

About 1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide

1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide (PubChem CID 175153955) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide
PubChem CID175153955
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)NC(C)c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C19H17ClN2O2/c1-12(14-7-3-5-9-17(14)20)21-19(24)16-11-22(13(2)23)18-10-6-4-8-15(16)18/h3-12H,1-2H3,(H,21,24)
InChIKeyITAGRQQEZUMEBI-UHFFFAOYSA-N
XLogP4.45
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide
CID 113207852
2-chloro-N-[1-(2-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 106501562
1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide
CID 113212889
N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9152128
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide
CID 81379610
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39919365
N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55758083
N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide
CID 103600135
1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide
CID 113212714
3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide
CID 103606462
N-[1-(2-chlorophenyl)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115298970
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 26907645

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide?
The IUPAC name of 1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide (CID 175153955) is 1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide is CC(=O)n1cc(C(=O)NC(C)c2ccccc2Cl)c2ccccc21.
What is the InChIKey of 1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide?
The InChIKey is ITAGRQQEZUMEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-12(14-7-3-5-9-17(14)20)21-19(24)16-11-22(13(2)23)18-10-6-4-8-15(16)18/h3-12H,1-2H3,(H,21,24).
What are the key properties of 1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide?
1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide is sourced from PubChem (CID 175153955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).