4-(3-aminoanilino)-3-nitrobenzamide

C13H12N4O3 — CID 43448379

IUPAC4-(3-aminoanilino)-3-nitrobenzamide
SMILESNC(=O)c1ccc(Nc2cccc(N)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H12N4O3/c14-9-2-1-3-10(7-9)16-11-5-4-8(13(15)18)6-12(11)17(19)20/h1-7,16H,14H2,(H2,15,18)
InChIKeyXFWCCYHSIZTNAY-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.02
Rot. Bonds4

About 4-(3-aminoanilino)-3-nitrobenzamide

4-(3-aminoanilino)-3-nitrobenzamide (PubChem CID 43448379) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-(3-aminoanilino)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(3-aminoanilino)-3-nitrobenzamide
PubChem CID43448379
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name4-(3-aminoanilino)-3-nitrobenzamide
SMILESNC(=O)c1ccc(Nc2cccc(N)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H12N4O3/c14-9-2-1-3-10(7-9)16-11-5-4-8(13(15)18)6-12(11)17(19)20/h1-7,16H,14H2,(H2,15,18)
InChIKeyXFWCCYHSIZTNAY-UHFFFAOYSA-N
XLogP2.02
TPSA124.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromo-2-nitroanilino)benzamide
CID 107810089
4-(3,4-dimethylanilino)-3-nitrobenzamide
CID 4876320
4-(2-methylanilino)-3-nitrobenzamide
CID 4883898
4-anilino-3-nitrobenzoic acid
CID 3824366
4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide
CID 84819036
N-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide
CID 84819035
4-(2-chloro-4-methylanilino)-3-nitrobenzamide
CID 9251287
CID 89007903
CID 89007903
N-[3-(4-acetyl-2-nitroanilino)phenyl]cyclopropanecarboxamide
CID 36725051
4-[(2-amino-2-oxoethyl)amino]-3-nitrobenzamide
CID 43386342
5-(3-aminoanilino)-2-nitrophenol
CID 118874786
4-anilino-N-methyl-3-nitrobenzamide
CID 47122651

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoanilino)-3-nitrobenzamide?
The IUPAC name of 4-(3-aminoanilino)-3-nitrobenzamide (CID 43448379) is 4-(3-aminoanilino)-3-nitrobenzamide.
What is the SMILES notation for 4-(3-aminoanilino)-3-nitrobenzamide?
The canonical SMILES for 4-(3-aminoanilino)-3-nitrobenzamide is NC(=O)c1ccc(Nc2cccc(N)c2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(3-aminoanilino)-3-nitrobenzamide?
The InChIKey is XFWCCYHSIZTNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c14-9-2-1-3-10(7-9)16-11-5-4-8(13(15)18)6-12(11)17(19)20/h1-7,16H,14H2,(H2,15,18).
What are the key properties of 4-(3-aminoanilino)-3-nitrobenzamide?
4-(3-aminoanilino)-3-nitrobenzamide has a molecular weight of 272.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoanilino)-3-nitrobenzamide is sourced from PubChem (CID 43448379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).