2-amino-4-chloro-N-(1H-indol-5-yl)benzamide

C15H12ClN3O — CID 63110093

IUPAC2-amino-4-chloro-N-(1H-indol-5-yl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H12ClN3O/c16-10-1-3-12(13(17)8-10)15(20)19-11-2-4-14-9(7-11)5-6-18-14/h1-8,18H,17H2,(H,19,20)
InChIKeyLFMJQBXWFCEJNT-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.66
Rot. Bonds2

About 2-amino-4-chloro-N-(1H-indol-5-yl)benzamide

2-amino-4-chloro-N-(1H-indol-5-yl)benzamide (PubChem CID 63110093) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(1H-indol-5-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(1H-indol-5-yl)benzamide
PubChem CID63110093
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name2-amino-4-chloro-N-(1H-indol-5-yl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H12ClN3O/c16-10-1-3-12(13(17)8-10)15(20)19-11-2-4-14-9(7-11)5-6-18-14/h1-8,18H,17H2,(H,19,20)
InChIKeyLFMJQBXWFCEJNT-UHFFFAOYSA-N
XLogP3.66
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-4-chloro-N-(1H-indol-5-yl)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-(1H-indol-5-yl)benzamide
CID 171571914
2-bromo-4-chloro-N-(1H-indol-5-yl)benzamide
CID 103763682
3,5-dichloro-N-(1H-indol-5-yl)benzamide
CID 171571909
4-[(2-amino-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 62057564
2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 43168358
6-chloro-N-(1H-indol-5-yl)pyrazine-2-carboxamide
CID 103186986
2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
CID 63110257
5-bromo-N-(1H-indol-5-yl)-2-methylbenzamide
CID 65309477
2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide
CID 62058536
6-chloro-N-(1H-indol-5-yl)pyridazine-3-carboxamide
CID 61250320
N-(3-chlorophenyl)-1H-indole-5-carboxamide
CID 55230182
2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 16783519

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(1H-indol-5-yl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(1H-indol-5-yl)benzamide (CID 63110093) is 2-amino-4-chloro-N-(1H-indol-5-yl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(1H-indol-5-yl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(1H-indol-5-yl)benzamide is Nc1cc(Cl)ccc1C(=O)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 2-amino-4-chloro-N-(1H-indol-5-yl)benzamide?
The InChIKey is LFMJQBXWFCEJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-10-1-3-12(13(17)8-10)15(20)19-11-2-4-14-9(7-11)5-6-18-14/h1-8,18H,17H2,(H,19,20).
What are the key properties of 2-amino-4-chloro-N-(1H-indol-5-yl)benzamide?
2-amino-4-chloro-N-(1H-indol-5-yl)benzamide has a molecular weight of 285.73 g/mol, XLogP of 3.66, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(1H-indol-5-yl)benzamide is sourced from PubChem (CID 63110093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).