3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide

C17H15ClN2O — CID 787235

IUPAC3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O/c18-14-5-3-4-12(10-14)17(21)19-9-8-13-11-20-16-7-2-1-6-15(13)16/h1-7,10-11,20H,8-9H2,(H,19,21)
InChIKeyRBSJXDQWBRYGFO-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.79
Rot. Bonds4

About 3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide

3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 787235) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID787235
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O/c18-14-5-3-4-12(10-14)17(21)19-9-8-13-11-20-16-7-2-1-6-15(13)16/h1-7,10-11,20H,8-9H2,(H,19,21)
InChIKeyRBSJXDQWBRYGFO-UHFFFAOYSA-N
XLogP3.79
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide 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

1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
CID 109055657
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050911
3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245340
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
CID 17271850
3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 82179549
N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18532713
N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
CID 51200340
4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
CID 26710991
N-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide
CID 119058397
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-fluorophenyl)methyl]benzamide
CID 86699424

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 787235) is 3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide is O=C(NCCc1c[nH]c2ccccc12)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is RBSJXDQWBRYGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-14-5-3-4-12(10-14)17(21)19-9-8-13-11-20-16-7-2-1-6-15(13)16/h1-7,10-11,20H,8-9H2,(H,19,21).
What are the key properties of 3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 298.77 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 787235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).