2-amino-3-(4-chloroanilino)benzamide

C13H12ClN3O — CID 113332450

IUPAC2-amino-3-(4-chloroanilino)benzamide
SMILESNC(=O)c1cccc(Nc2ccc(Cl)cc2)c1N
InChIInChI=1S/C13H12ClN3O/c14-8-4-6-9(7-5-8)17-11-3-1-2-10(12(11)15)13(16)18/h1-7,17H,15H2,(H2,16,18)
InChIKeyHETSEFIQPZJTKS-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.76
Rot. Bonds3

About 2-amino-3-(4-chloroanilino)benzamide

2-amino-3-(4-chloroanilino)benzamide (PubChem CID 113332450) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-amino-3-(4-chloroanilino)benzamide.

Molecular Properties

Compound Name2-amino-3-(4-chloroanilino)benzamide
PubChem CID113332450
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name2-amino-3-(4-chloroanilino)benzamide
SMILESNC(=O)c1cccc(Nc2ccc(Cl)cc2)c1N
InChIInChI=1S/C13H12ClN3O/c14-8-4-6-9(7-5-8)17-11-3-1-2-10(12(11)15)13(16)18/h1-7,17H,15H2,(H2,16,18)
InChIKeyHETSEFIQPZJTKS-UHFFFAOYSA-N
XLogP2.76
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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

2-amino-3-(3-chloroanilino)benzamide
CID 113332446
2-amino-3-(4-chloro-2-fluoroanilino)benzamide
CID 113332736
2-amino-3-(4-ethylanilino)benzamide
CID 113332480
2-amino-3-[4-(dimethylamino)anilino]benzamide
CID 115544938
3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine
CID 104834042
2-amino-3-(2-methylanilino)benzamide
CID 113332516
2-amino-3-(2-iodoanilino)benzamide
CID 113332546
2-amino-3-(5-bromo-2-chloroanilino)benzamide
CID 113332933
2-amino-3-(3,4-dimethoxyanilino)benzamide
CID 115544343
2-amino-3-(2-ethylanilino)benzamide
CID 113332482
2-amino-3-(4-cyanoanilino)benzoic acid
CID 113332473
2-amino-3-(3-carbamoylanilino)benzoic acid
CID 107809791

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chloroanilino)benzamide?
The IUPAC name of 2-amino-3-(4-chloroanilino)benzamide (CID 113332450) is 2-amino-3-(4-chloroanilino)benzamide.
What is the SMILES notation for 2-amino-3-(4-chloroanilino)benzamide?
The canonical SMILES for 2-amino-3-(4-chloroanilino)benzamide is NC(=O)c1cccc(Nc2ccc(Cl)cc2)c1N.
What is the InChIKey of 2-amino-3-(4-chloroanilino)benzamide?
The InChIKey is HETSEFIQPZJTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-8-4-6-9(7-5-8)17-11-3-1-2-10(12(11)15)13(16)18/h1-7,17H,15H2,(H2,16,18).
What are the key properties of 2-amino-3-(4-chloroanilino)benzamide?
2-amino-3-(4-chloroanilino)benzamide has a molecular weight of 261.71 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chloroanilino)benzamide is sourced from PubChem (CID 113332450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).