N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide

C18H16ClN3O2 — CID 113204770

IUPACN-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2C)c1
InChIInChI=1S/C18H16ClN3O2/c1-10-15-8-12(19)6-7-16(15)22-17(10)18(24)21-14-5-3-4-13(9-14)20-11(2)23/h3-9,22H,1-2H3,(H,20,23)(H,21,24)
InChIKeyOBORBXPGVNXQKK-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.34
Rot. Bonds3

About N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide

N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide (PubChem CID 113204770) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
PubChem CID113204770
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2C)c1
InChIInChI=1S/C18H16ClN3O2/c1-10-15-8-12(19)6-7-16(15)22-17(10)18(24)21-14-5-3-4-13(9-14)20-11(2)23/h3-9,22H,1-2H3,(H,20,23)(H,21,24)
InChIKeyOBORBXPGVNXQKK-UHFFFAOYSA-N
XLogP4.34
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-(3-acetamidophenyl)-5-chloro-3-methyl-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-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 110861099
3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204253
5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-1H-indole-2-carboxamide
CID 155913457
5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204787
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(3-hydroxyphenyl)-1H-indole-2-carboxamide
CID 162650463
N-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide
CID 113205056
6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113205346
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide
CID 84579294
N-(1,3-benzodioxol-5-yl)-6-chloro-3-methyl-1H-indole-2-carboxamide
CID 113205360
N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204882

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide (CID 113204770) is N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide is CC(=O)Nc1cccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide?
The InChIKey is OBORBXPGVNXQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-10-15-8-12(19)6-7-16(15)22-17(10)18(24)21-14-5-3-4-13(9-14)20-11(2)23/h3-9,22H,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide?
N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 4.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113204770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).