4-amino-N-(4-amino-2-chlorophenyl)benzamide

C13H12ClN3O — CID 577458

IUPAC4-amino-N-(4-amino-2-chlorophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1
InChIInChI=1S/C13H12ClN3O/c14-11-7-10(16)5-6-12(11)17-13(18)8-1-3-9(15)4-2-8/h1-7H,15-16H2,(H,17,18)
InChIKeyQFWZVUKQCBTKID-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.76
Rot. Bonds2

About 4-amino-N-(4-amino-2-chlorophenyl)benzamide

4-amino-N-(4-amino-2-chlorophenyl)benzamide (PubChem CID 577458) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-amino-N-(4-amino-2-chlorophenyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(4-amino-2-chlorophenyl)benzamide
PubChem CID577458
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name4-amino-N-(4-amino-2-chlorophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1
InChIInChI=1S/C13H12ClN3O/c14-11-7-10(16)5-6-12(11)17-13(18)8-1-3-9(15)4-2-8/h1-7H,15-16H2,(H,17,18)
InChIKeyQFWZVUKQCBTKID-UHFFFAOYSA-N
XLogP2.76
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-amino-2,6-dichlorophenyl)benzamide
CID 20565335
N-(4-amino-2-chlorophenyl)-3-bromo-4-methylbenzamide
CID 81470767
N-(4-amino-2-chlorophenyl)-4-propoxybenzamide
CID 100829816
N-(4-amino-2-hydroxyphenyl)-4-chlorobenzamide
CID 3264738
N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide
CID 114818567
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
CID 61158573
5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid
CID 63115662
N-(4-amino-2-chlorophenyl)-3-fluoro-4-methoxybenzamide
CID 62918843
4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide
CID 79214714
N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide
CID 16773684

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-amino-2-chlorophenyl)benzamide?
The IUPAC name of 4-amino-N-(4-amino-2-chlorophenyl)benzamide (CID 577458) is 4-amino-N-(4-amino-2-chlorophenyl)benzamide.
What is the SMILES notation for 4-amino-N-(4-amino-2-chlorophenyl)benzamide?
The canonical SMILES for 4-amino-N-(4-amino-2-chlorophenyl)benzamide is Nc1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1.
What is the InChIKey of 4-amino-N-(4-amino-2-chlorophenyl)benzamide?
The InChIKey is QFWZVUKQCBTKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-11-7-10(16)5-6-12(11)17-13(18)8-1-3-9(15)4-2-8/h1-7H,15-16H2,(H,17,18).
What are the key properties of 4-amino-N-(4-amino-2-chlorophenyl)benzamide?
4-amino-N-(4-amino-2-chlorophenyl)benzamide has a molecular weight of 261.71 g/mol, XLogP of 2.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-amino-2-chlorophenyl)benzamide is sourced from PubChem (CID 577458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).