2,3-diamino-N-(2-chlorophenyl)benzamide

C13H12ClN3O — CID 175375974

IUPAC2,3-diamino-N-(2-chlorophenyl)benzamide
SMILESNc1cccc(C(=O)Nc2ccccc2Cl)c1N
InChIInChI=1S/C13H12ClN3O/c14-9-5-1-2-7-11(9)17-13(18)8-4-3-6-10(15)12(8)16/h1-7H,15-16H2,(H,17,18)
InChIKeyVVHQPUNVZIRRDL-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.76
Rot. Bonds2

About 2,3-diamino-N-(2-chlorophenyl)benzamide

2,3-diamino-N-(2-chlorophenyl)benzamide (PubChem CID 175375974) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 2,3-diamino-N-(2-chlorophenyl)benzamide.

Molecular Properties

Compound Name2,3-diamino-N-(2-chlorophenyl)benzamide
PubChem CID175375974
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name2,3-diamino-N-(2-chlorophenyl)benzamide
SMILESNc1cccc(C(=O)Nc2ccccc2Cl)c1N
InChIInChI=1S/C13H12ClN3O/c14-9-5-1-2-7-11(9)17-13(18)8-4-3-6-10(15)12(8)16/h1-7H,15-16H2,(H,17,18)
InChIKeyVVHQPUNVZIRRDL-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

N-(2-aminophenyl)-2-chlorobenzamide
CID 684680
2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide
CID 80503937
2-amino-N-(2-chlorophenyl)-3-nitrobenzamide
CID 115677618
N-(2-chlorophenyl)-2-hydrazinylbenzamide
CID 62248319
2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid
CID 63722942
N-(2-chlorophenyl)-2-iodobenzamide
CID 1105942
2-amino-N-(2-chlorophenyl)-6-methylbenzamide
CID 16785685
2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide
CID 115540029
2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide
CID 115540166
3-amino-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 23633071
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide
CID 82832841

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-N-(2-chlorophenyl)benzamide?
The IUPAC name of 2,3-diamino-N-(2-chlorophenyl)benzamide (CID 175375974) is 2,3-diamino-N-(2-chlorophenyl)benzamide.
What is the SMILES notation for 2,3-diamino-N-(2-chlorophenyl)benzamide?
The canonical SMILES for 2,3-diamino-N-(2-chlorophenyl)benzamide is Nc1cccc(C(=O)Nc2ccccc2Cl)c1N.
What is the InChIKey of 2,3-diamino-N-(2-chlorophenyl)benzamide?
The InChIKey is VVHQPUNVZIRRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-9-5-1-2-7-11(9)17-13(18)8-4-3-6-10(15)12(8)16/h1-7H,15-16H2,(H,17,18).
What are the key properties of 2,3-diamino-N-(2-chlorophenyl)benzamide?
2,3-diamino-N-(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 2,3-diamino-N-(2-chlorophenyl)benzamide is sourced from PubChem (CID 175375974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).