N-(2-aminophenyl)-4-(hydroxyamino)benzamide

C13H13N3O2 — CID 155418611

IUPACN-(2-aminophenyl)-4-(hydroxyamino)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(NO)cc1
InChIInChI=1S/C13H13N3O2/c14-11-3-1-2-4-12(11)15-13(17)9-5-7-10(16-18)8-6-9/h1-8,16,18H,14H2,(H,15,17)
InChIKeyQYVSNPFYQWCKNI-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.32
Rot. Bonds3

About N-(2-aminophenyl)-4-(hydroxyamino)benzamide

N-(2-aminophenyl)-4-(hydroxyamino)benzamide (PubChem CID 155418611) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(hydroxyamino)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(hydroxyamino)benzamide
PubChem CID155418611
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(2-aminophenyl)-4-(hydroxyamino)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(NO)cc1
InChIInChI=1S/C13H13N3O2/c14-11-3-1-2-4-12(11)15-13(17)9-5-7-10(16-18)8-6-9/h1-8,16,18H,14H2,(H,15,17)
InChIKeyQYVSNPFYQWCKNI-UHFFFAOYSA-N
XLogP2.32
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide
CID 141088053
N-(2-aminophenyl)-6-oxopyran-3-carboxamide
CID 43600019
N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide
CID 11394274
N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide
CID 59376462
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline
CID 160598237
N-(2-aminophenyl)-4-imidazol-1-ylbenzamide
CID 110484015
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
CID 174854495
4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
CID 10380630

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(hydroxyamino)benzamide?
The IUPAC name of N-(2-aminophenyl)-4-(hydroxyamino)benzamide (CID 155418611) is N-(2-aminophenyl)-4-(hydroxyamino)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(hydroxyamino)benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-(hydroxyamino)benzamide is Nc1ccccc1NC(=O)c1ccc(NO)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-(hydroxyamino)benzamide?
The InChIKey is QYVSNPFYQWCKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-11-3-1-2-4-12(11)15-13(17)9-5-7-10(16-18)8-6-9/h1-8,16,18H,14H2,(H,15,17).
What are the key properties of N-(2-aminophenyl)-4-(hydroxyamino)benzamide?
N-(2-aminophenyl)-4-(hydroxyamino)benzamide has a molecular weight of 243.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(hydroxyamino)benzamide is sourced from PubChem (CID 155418611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).