4-amino-N-(1H-pyrrol-2-yl)benzamide

C11H11N3O — CID 115160970

IUPAC4-amino-N-(1H-pyrrol-2-yl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc[nH]2)cc1
InChIInChI=1S/C11H11N3O/c12-9-5-3-8(4-6-9)11(15)14-10-2-1-7-13-10/h1-7,13H,12H2,(H,14,15)
InChIKeyFKEKKOGNWLFQJV-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.85
Rot. Bonds2

About 4-amino-N-(1H-pyrrol-2-yl)benzamide

4-amino-N-(1H-pyrrol-2-yl)benzamide (PubChem CID 115160970) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-amino-N-(1H-pyrrol-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-(1H-pyrrol-2-yl)benzamide
PubChem CID115160970
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-amino-N-(1H-pyrrol-2-yl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc[nH]2)cc1
InChIInChI=1S/C11H11N3O/c12-9-5-3-8(4-6-9)11(15)14-10-2-1-7-13-10/h1-7,13H,12H2,(H,14,15)
InChIKeyFKEKKOGNWLFQJV-UHFFFAOYSA-N
XLogP1.85
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-N-(1H-pyrrol-2-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

4-amino-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide
CID 135797119
4-amino-N-pyridazin-3-ylbenzamide
CID 116785969
4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide
CID 110474517
4-amino-N-(4-amino-2,6-dichlorophenyl)benzamide
CID 20565335
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
CID 149308165
CID 149308165
4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216
N-(4-aminophenyl)-4-ethenylbenzamide
CID 13082944
4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
4-amino-N-pyrazin-2-ylbenzamide
CID 43616023
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1H-pyrrol-2-yl)benzamide?
The IUPAC name of 4-amino-N-(1H-pyrrol-2-yl)benzamide (CID 115160970) is 4-amino-N-(1H-pyrrol-2-yl)benzamide.
What is the SMILES notation for 4-amino-N-(1H-pyrrol-2-yl)benzamide?
The canonical SMILES for 4-amino-N-(1H-pyrrol-2-yl)benzamide is Nc1ccc(C(=O)Nc2ccc[nH]2)cc1.
What is the InChIKey of 4-amino-N-(1H-pyrrol-2-yl)benzamide?
The InChIKey is FKEKKOGNWLFQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-9-5-3-8(4-6-9)11(15)14-10-2-1-7-13-10/h1-7,13H,12H2,(H,14,15).
What are the key properties of 4-amino-N-(1H-pyrrol-2-yl)benzamide?
4-amino-N-(1H-pyrrol-2-yl)benzamide has a molecular weight of 201.23 g/mol, XLogP of 1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1H-pyrrol-2-yl)benzamide is sourced from PubChem (CID 115160970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).