1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide

C20H21ClN2O2 — CID 55497593

IUPAC1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c1-3-18(14-4-7-17(21)8-5-14)22-20(25)16-6-9-19-15(12-16)10-11-23(19)13(2)24/h4-9,12,18H,3,10-11H2,1-2H3,(H,22,25)
InChIKeyNEACZNIUCIKGTK-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.13
Rot. Bonds4

About 1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 55497593) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide
PubChem CID55497593
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c1-3-18(14-4-7-17(21)8-5-14)22-20(25)16-6-9-19-15(12-16)10-11-23(19)13(2)24/h4-9,12,18H,3,10-11H2,1-2H3,(H,22,25)
InChIKeyNEACZNIUCIKGTK-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 40811861
1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide
CID 60580165
3-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 45342349
1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 30886490
1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 24532068
1-(2,3-difluorobenzoyl)-N-(1-phenylpropyl)-2,3-dihydroindole-5-carboxamide
CID 71109938
1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide
CID 55903162
(2S)-N-[(1R)-1-(4-chlorophenyl)propyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41490223
N-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 94086764
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-2,3-dihydroindole-5-carboxamide
CID 119260893
N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 51959111

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide (CID 55497593) is 1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide is CCC(NC(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is NEACZNIUCIKGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-3-18(14-4-7-17(21)8-5-14)22-20(25)16-6-9-19-15(12-16)10-11-23(19)13(2)24/h4-9,12,18H,3,10-11H2,1-2H3,(H,22,25).
What are the key properties of 1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 356.85 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55497593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).