4-(4-nitroanilino)benzamide

C13H11N3O3 — CID 11265357

IUPAC4-(4-nitroanilino)benzamide
SMILESNC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C13H11N3O3/c14-13(17)9-1-3-10(4-2-9)15-11-5-7-12(8-6-11)16(18)19/h1-8,15H,(H2,14,17)
InChIKeyNPJAVICPPUPUPI-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.44
Rot. Bonds4

About 4-(4-nitroanilino)benzamide

4-(4-nitroanilino)benzamide (PubChem CID 11265357) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-(4-nitroanilino)benzamide.

Molecular Properties

Compound Name4-(4-nitroanilino)benzamide
PubChem CID11265357
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name4-(4-nitroanilino)benzamide
SMILESNC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C13H11N3O3/c14-13(17)9-1-3-10(4-2-9)15-11-5-7-12(8-6-11)16(18)19/h1-8,15H,(H2,14,17)
InChIKeyNPJAVICPPUPUPI-UHFFFAOYSA-N
XLogP2.44
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-nitrophenyl)carbamothioylamino]benzamide
CID 2956829
4-[2-(4-nitrophenyl)ethynyl]benzamide
CID 175807940
N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide
CID 19661491
N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide
CID 819437
N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-nitrobenzamide
CID 5109198
N,N'-bis(2,2-dimethylpropyl)propane-1,3-diamine;bis(4-nitrobenzamide)
CID 18954463
4-(4-nitroanilino)benzene-1,2-diol
CID 154216315
4-[(4-nitrophenyl)methoxy]benzamide
CID 7893395
4-nitrobenzohydrazide;hydrochloride
CID 172718286
benzamide;4-nitrobenzenesulfonic acid
CID 131869489
4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 59458005
3-nitro-4-[2-(4-nitroanilino)-2-oxoethyl]sulfanylbenzamide
CID 43025503

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitroanilino)benzamide?
The IUPAC name of 4-(4-nitroanilino)benzamide (CID 11265357) is 4-(4-nitroanilino)benzamide.
What is the SMILES notation for 4-(4-nitroanilino)benzamide?
The canonical SMILES for 4-(4-nitroanilino)benzamide is NC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-(4-nitroanilino)benzamide?
The InChIKey is NPJAVICPPUPUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c14-13(17)9-1-3-10(4-2-9)15-11-5-7-12(8-6-11)16(18)19/h1-8,15H,(H2,14,17).
What are the key properties of 4-(4-nitroanilino)benzamide?
4-(4-nitroanilino)benzamide has a molecular weight of 257.25 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitroanilino)benzamide is sourced from PubChem (CID 11265357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).