N-acetyl-2-(3-nitrophenyl)iminochromene-3-carboxamide

C18H13N3O5 — CID 3551881

IUPACN-acetyl-2-(3-nitrophenyl)iminochromene-3-carboxamide
SMILESCC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H13N3O5/c1-11(22)19-17(23)15-9-12-5-2-3-8-16(12)26-18(15)20-13-6-4-7-14(10-13)21(24)25/h2-10H,1H3,(H,19,22,23)/b20-18-
InChIKeyTZJISOAEYVVLOB-ZZEZOPTASA-N
MW351.32 g/mol
LogP2.85
Rot. Bonds3

About N-acetyl-2-(3-nitrophenyl)iminochromene-3-carboxamide

N-acetyl-2-(3-nitrophenyl)iminochromene-3-carboxamide (PubChem CID 3551881) has the molecular formula C18H13N3O5 and a molecular weight of 351.32 g/mol. Its IUPAC name is N-acetyl-2-(3-nitrophenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-acetyl-2-(3-nitrophenyl)iminochromene-3-carboxamide
PubChem CID3551881
Molecular FormulaC18H13N3O5
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC NameN-acetyl-2-(3-nitrophenyl)iminochromene-3-carboxamide
SMILESCC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H13N3O5/c1-11(22)19-17(23)15-9-12-5-2-3-8-16(12)26-18(15)20-13-6-4-7-14(10-13)21(24)25/h2-10H,1H3,(H,19,22,23)/b20-18-
InChIKeyTZJISOAEYVVLOB-ZZEZOPTASA-N
XLogP2.85
TPSA114.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-acetyl-2-(3-nitrophenyl)iminochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-acetyl-2-(3-methylphenyl)imino-6-nitrochromene-3-carboxamide
CID 4053248
N-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide
CID 3635457
N-methyl-2-phenyliminochromene-3-carboxamide
CID 826595
ethyl 4-[[3-(acetylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 35207170
2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 3876523
2-(3-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367703
2-(3-methylphenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 4050937
2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367843
N-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide
CID 51367296
2-(3-ethylphenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide
CID 51367519
2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367823
6-nitro-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 1020866

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-(3-nitrophenyl)iminochromene-3-carboxamide?
The IUPAC name of N-acetyl-2-(3-nitrophenyl)iminochromene-3-carboxamide (CID 3551881) is N-acetyl-2-(3-nitrophenyl)iminochromene-3-carboxamide.
What is the SMILES notation for N-acetyl-2-(3-nitrophenyl)iminochromene-3-carboxamide?
The canonical SMILES for N-acetyl-2-(3-nitrophenyl)iminochromene-3-carboxamide is CC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-acetyl-2-(3-nitrophenyl)iminochromene-3-carboxamide?
The InChIKey is TZJISOAEYVVLOB-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H13N3O5/c1-11(22)19-17(23)15-9-12-5-2-3-8-16(12)26-18(15)20-13-6-4-7-14(10-13)21(24)25/h2-10H,1H3,(H,19,22,23)/b20-18-.
What are the key properties of N-acetyl-2-(3-nitrophenyl)iminochromene-3-carboxamide?
N-acetyl-2-(3-nitrophenyl)iminochromene-3-carboxamide has a molecular weight of 351.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-(3-nitrophenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 3551881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).