1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide

C17H12N2O4 — CID 3352872

IUPAC1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1O
InChIInChI=1S/C17H12N2O4/c20-16-14-4-2-1-3-11(14)5-10-15(16)17(21)18-12-6-8-13(9-7-12)19(22)23/h1-10,20H,(H,18,21)
InChIKeyHDZNXUFSRGJXLN-UHFFFAOYSA-N
MW308.29 g/mol
LogP3.71
Rot. Bonds3

About 1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide

1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide (PubChem CID 3352872) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is 1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide
PubChem CID3352872
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1O
InChIInChI=1S/C17H12N2O4/c20-16-14-4-2-1-3-11(14)5-10-15(16)17(21)18-12-6-8-13(9-7-12)19(22)23/h1-10,20H,(H,18,21)
InChIKeyHDZNXUFSRGJXLN-UHFFFAOYSA-N
XLogP3.71
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 53.71
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'}

Analyze 1-hydroxy-N-(4-nitrophenyl)naphthalene-2-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

2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide
CID 6610544
1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 59136445
N-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 34636674
N-(4-nitrophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3813171
8-hydroxy-N-[4-(4-nitrophenoxy)phenyl]quinoline-7-carboxamide;hydrochloride
CID 18372593
2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide
CID 18931505
(4-nitrophenyl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 958589
2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid
CID 679720
1-naphthalen-1-yl-3-(4-nitrophenyl)urea
CID 5086557
N-naphthalen-2-yl-2,4-dinitrobenzamide
CID 3090080
ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide
CID 143289888
2-(naphthalene-1-carbonylamino)-4-nitrobenzoate
CID 6961900

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide (CID 3352872) is 1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1O.
What is the InChIKey of 1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide?
The InChIKey is HDZNXUFSRGJXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c20-16-14-4-2-1-3-11(14)5-10-15(16)17(21)18-12-6-8-13(9-7-12)19(22)23/h1-10,20H,(H,18,21).
What are the key properties of 1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide?
1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide has a molecular weight of 308.29 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 3352872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).