N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide

C17H17ClN2O — CID 76897371

IUPACN-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1Cc2ccccc2N1
InChIInChI=1S/C17H17ClN2O/c18-14-6-3-4-12(10-14)8-9-19-17(21)16-11-13-5-1-2-7-15(13)20-16/h1-7,10,16,20H,8-9,11H2,(H,19,21)
InChIKeyVXYYGCSFNNNHEV-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.04
Rot. Bonds4

About N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide

N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76897371) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76897371
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1Cc2ccccc2N1
InChIInChI=1S/C17H17ClN2O/c18-14-6-3-4-12(10-14)8-9-19-17(21)16-11-13-5-1-2-7-15(13)20-16/h1-7,10,16,20H,8-9,11H2,(H,19,21)
InChIKeyVXYYGCSFNNNHEV-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423733
N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 61276083
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 104931777
(2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61148810
N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106842127
2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974491
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648
N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18136802
N-(3,5-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216647
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
cis-(1S,2R)-2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 898467

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 76897371) is N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide is O=C(NCCc1cccc(Cl)c1)C1Cc2ccccc2N1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is VXYYGCSFNNNHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-14-6-3-4-12(10-14)8-9-19-17(21)16-11-13-5-1-2-7-15(13)20-16/h1-7,10,16,20H,8-9,11H2,(H,19,21).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76897371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).