3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide

C17H15ClN2O — CID 5096420

IUPAC3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
SMILESCc1cc2cc(CNC(=O)c3cccc(Cl)c3)ccc2[nH]1
InChIInChI=1S/C17H15ClN2O/c1-11-7-14-8-12(5-6-16(14)20-11)10-19-17(21)13-3-2-4-15(18)9-13/h2-9,20H,10H2,1H3,(H,19,21)
InChIKeyHKPHVWJDVQWQBE-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.06
Rot. Bonds3

About 3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide

3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide (PubChem CID 5096420) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
PubChem CID5096420
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
SMILESCc1cc2cc(CNC(=O)c3cccc(Cl)c3)ccc2[nH]1
InChIInChI=1S/C17H15ClN2O/c1-11-7-14-8-12(5-6-16(14)20-11)10-19-17(21)13-3-2-4-15(18)9-13/h2-9,20H,10H2,1H3,(H,19,21)
InChIKeyHKPHVWJDVQWQBE-UHFFFAOYSA-N
XLogP4.06
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]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

2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096662
4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096418
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138042465
N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 167798638
(2-methyl-1H-indol-5-yl)methylcarbamic acid
CID 118078535
(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide
CID 7158869
2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 4549485
3-methoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666080
1-tert-butyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea
CID 110668194
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 110666044
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide (CID 5096420) is 3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide is Cc1cc2cc(CNC(=O)c3cccc(Cl)c3)ccc2[nH]1.
What is the InChIKey of 3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The InChIKey is HKPHVWJDVQWQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11-7-14-8-12(5-6-16(14)20-11)10-19-17(21)13-3-2-4-15(18)9-13/h2-9,20H,10H2,1H3,(H,19,21).
What are the key properties of 3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide has a molecular weight of 298.77 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide is sourced from PubChem (CID 5096420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).