N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide

C13H11ClN2O3 — CID 107721355

IUPACN-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide
SMILESNc1cc(NC(=O)c2cc(O)ccc2O)ccc1Cl
InChIInChI=1S/C13H11ClN2O3/c14-10-3-1-7(5-11(10)15)16-13(19)9-6-8(17)2-4-12(9)18/h1-6,17-18H,15H2,(H,16,19)
InChIKeyBXLOENJNTKZKKQ-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.59
Rot. Bonds2

About N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide

N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide (PubChem CID 107721355) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide
PubChem CID107721355
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC NameN-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide
SMILESNc1cc(NC(=O)c2cc(O)ccc2O)ccc1Cl
InChIInChI=1S/C13H11ClN2O3/c14-10-3-1-7(5-11(10)15)16-13(19)9-6-8(17)2-4-12(9)18/h1-6,17-18H,15H2,(H,16,19)
InChIKeyBXLOENJNTKZKKQ-UHFFFAOYSA-N
XLogP2.59
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide
CID 107729182
5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 106500152
N-(3-amino-4-chlorophenyl)-2,6-dihydroxybenzamide
CID 107687543
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
N-(3,5-dichlorophenyl)-2,5-dihydroxybenzamide
CID 107722277
N-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide
CID 79767581
N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide
CID 107937325
N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide
CID 81454097
N-(3-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
CID 107724034
N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
CID 107724057
N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide
CID 16777113
N-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104669063

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide (CID 107721355) is N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide is Nc1cc(NC(=O)c2cc(O)ccc2O)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide?
The InChIKey is BXLOENJNTKZKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c14-10-3-1-7(5-11(10)15)16-13(19)9-6-8(17)2-4-12(9)18/h1-6,17-18H,15H2,(H,16,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide?
N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide has a molecular weight of 278.70 g/mol, XLogP of 2.59, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107721355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).