2-amino-N-(4-pyrrol-1-ylphenyl)benzamide

C17H15N3O — CID 110474388

IUPAC2-amino-N-(4-pyrrol-1-ylphenyl)benzamide
SMILESNc1ccccc1C(=O)Nc1ccc(-n2cccc2)cc1
InChIInChI=1S/C17H15N3O/c18-16-6-2-1-5-15(16)17(21)19-13-7-9-14(10-8-13)20-11-3-4-12-20/h1-12H,18H2,(H,19,21)
InChIKeyFLLFJCPIGPMAIY-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.31
Rot. Bonds3

About 2-amino-N-(4-pyrrol-1-ylphenyl)benzamide

2-amino-N-(4-pyrrol-1-ylphenyl)benzamide (PubChem CID 110474388) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-amino-N-(4-pyrrol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(4-pyrrol-1-ylphenyl)benzamide
PubChem CID110474388
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-amino-N-(4-pyrrol-1-ylphenyl)benzamide
SMILESNc1ccccc1C(=O)Nc1ccc(-n2cccc2)cc1
InChIInChI=1S/C17H15N3O/c18-16-6-2-1-5-15(16)17(21)19-13-7-9-14(10-8-13)20-11-3-4-12-20/h1-12H,18H2,(H,19,21)
InChIKeyFLLFJCPIGPMAIY-UHFFFAOYSA-N
XLogP3.31
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(4-pyrrol-1-ylphenyl)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

methyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate
CID 61213394
2-amino-N-pyridin-4-ylbenzamide
CID 5080262
2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
CID 71601154
N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
CID 39337548
2-amino-N-(4-pentylphenyl)benzamide
CID 16768967
4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
CID 2768248
2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide
CID 119946943
2-bromo-N-(4-imidazol-1-ylphenyl)benzamide
CID 37239314
2-amino-N-pyrimidin-5-ylbenzamide
CID 107587397
4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide
CID 26718752
methyl N-(4-pyrrol-1-ylphenyl)carbamate
CID 110726346
2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119946776

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-pyrrol-1-ylphenyl)benzamide?
The IUPAC name of 2-amino-N-(4-pyrrol-1-ylphenyl)benzamide (CID 110474388) is 2-amino-N-(4-pyrrol-1-ylphenyl)benzamide.
What is the SMILES notation for 2-amino-N-(4-pyrrol-1-ylphenyl)benzamide?
The canonical SMILES for 2-amino-N-(4-pyrrol-1-ylphenyl)benzamide is Nc1ccccc1C(=O)Nc1ccc(-n2cccc2)cc1.
What is the InChIKey of 2-amino-N-(4-pyrrol-1-ylphenyl)benzamide?
The InChIKey is FLLFJCPIGPMAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-16-6-2-1-5-15(16)17(21)19-13-7-9-14(10-8-13)20-11-3-4-12-20/h1-12H,18H2,(H,19,21).
What are the key properties of 2-amino-N-(4-pyrrol-1-ylphenyl)benzamide?
2-amino-N-(4-pyrrol-1-ylphenyl)benzamide has a molecular weight of 277.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-pyrrol-1-ylphenyl)benzamide is sourced from PubChem (CID 110474388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).