4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide

C19H15N3O4 — CID 84819036

IUPAC4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(Nc2cccc(O)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H15N3O4/c23-16-8-4-7-15(12-16)20-17-10-9-13(11-18(17)22(25)26)19(24)21-14-5-2-1-3-6-14/h1-12,20,23H,(H,21,24)
InChIKeyGVLAJTCEIPIHDM-UHFFFAOYSA-N
MW349.35 g/mol
LogP4.30
Rot. Bonds5

About 4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide

4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide (PubChem CID 84819036) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide.

Molecular Properties

Compound Name4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide
PubChem CID84819036
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(Nc2cccc(O)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H15N3O4/c23-16-8-4-7-15(12-16)20-17-10-9-13(11-18(17)22(25)26)19(24)21-14-5-2-1-3-6-14/h1-12,20,23H,(H,21,24)
InChIKeyGVLAJTCEIPIHDM-UHFFFAOYSA-N
XLogP4.30
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide
CID 84819035
4-anilino-N-methyl-3-nitrobenzamide
CID 47122651
4-anilino-3-nitrobenzoic acid
CID 3824366
4-anilino-N-[4-(cyanomethoxy)phenyl]-3-nitrobenzamide
CID 24674135
4-(4-fluoroanilino)-N-(4-fluorophenyl)-3-nitrobenzamide
CID 91590330
4-anilino-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30865592
4-anilino-N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 27537881
4-(3-aminoanilino)-3-nitrobenzamide
CID 43448379
4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methylphenyl)-3-nitrobenzamide
CID 6014763
4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 9341535
4-anilino-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 27257229
N-(5-acetamido-2-methylphenyl)-4-anilino-3-nitrobenzamide
CID 55691880

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide?
The IUPAC name of 4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide (CID 84819036) is 4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide.
What is the SMILES notation for 4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide?
The canonical SMILES for 4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(Nc2cccc(O)c2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide?
The InChIKey is GVLAJTCEIPIHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-16-8-4-7-15(12-16)20-17-10-9-13(11-18(17)22(25)26)19(24)21-14-5-2-1-3-6-14/h1-12,20,23H,(H,21,24).
What are the key properties of 4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide?
4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide has a molecular weight of 349.35 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide is sourced from PubChem (CID 84819036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).