4-anilino-N-ethoxy-3-nitrobenzamide

C15H15N3O4 — CID 18169038

IUPAC4-anilino-N-ethoxy-3-nitrobenzamide
SMILESCCONC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O4/c1-2-22-17-15(19)11-8-9-13(14(10-11)18(20)21)16-12-6-4-3-5-7-12/h3-10,16H,2H2,1H3,(H,17,19)
InChIKeyAOZYJOAOHLGZQK-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.02
Rot. Bonds6

About 4-anilino-N-ethoxy-3-nitrobenzamide

4-anilino-N-ethoxy-3-nitrobenzamide (PubChem CID 18169038) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 4-anilino-N-ethoxy-3-nitrobenzamide.

Molecular Properties

Compound Name4-anilino-N-ethoxy-3-nitrobenzamide
PubChem CID18169038
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name4-anilino-N-ethoxy-3-nitrobenzamide
SMILESCCONC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O4/c1-2-22-17-15(19)11-8-9-13(14(10-11)18(20)21)16-12-6-4-3-5-7-12/h3-10,16H,2H2,1H3,(H,17,19)
InChIKeyAOZYJOAOHLGZQK-UHFFFAOYSA-N
XLogP3.02
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.02
H-Bond Donors ≤ 52
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

4-anilino-N-methyl-3-nitrobenzamide
CID 47122651
4-anilino-3-nitrobenzoic acid
CID 3824366
N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 18169069
methyl 4-[(4-anilino-3-nitrobenzoyl)amino]butanoate
CID 60592651
4-anilino-N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 27537881
N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-4-anilino-3-nitrobenzamide
CID 86934684
ethyl 2-[2-[(4-anilino-3-nitrobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 17481677
[2-oxo-2-(pentan-2-ylamino)ethyl] 4-anilino-3-nitrobenzoate
CID 46818647
4-anilino-N-(furan-2-ylmethyl)-3-nitrobenzamide
CID 27649998
N-(5-acetamido-2-methylphenyl)-4-anilino-3-nitrobenzamide
CID 55691880
4-anilino-N-(5-chloro-2,4-dimethoxyphenyl)-3-nitrobenzamide
CID 24570934
4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide
CID 84819036

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-ethoxy-3-nitrobenzamide?
The IUPAC name of 4-anilino-N-ethoxy-3-nitrobenzamide (CID 18169038) is 4-anilino-N-ethoxy-3-nitrobenzamide.
What is the SMILES notation for 4-anilino-N-ethoxy-3-nitrobenzamide?
The canonical SMILES for 4-anilino-N-ethoxy-3-nitrobenzamide is CCONC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-anilino-N-ethoxy-3-nitrobenzamide?
The InChIKey is AOZYJOAOHLGZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-2-22-17-15(19)11-8-9-13(14(10-11)18(20)21)16-12-6-4-3-5-7-12/h3-10,16H,2H2,1H3,(H,17,19).
What are the key properties of 4-anilino-N-ethoxy-3-nitrobenzamide?
4-anilino-N-ethoxy-3-nitrobenzamide has a molecular weight of 301.30 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-ethoxy-3-nitrobenzamide is sourced from PubChem (CID 18169038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).