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

C17H12N2O4 — CID 139771918

IUPAC3-hydroxy-N-(2-nitrophenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cc(O)cc2ccccc12
InChIInChI=1S/C17H12N2O4/c20-12-9-11-5-1-2-6-13(11)14(10-12)17(21)18-15-7-3-4-8-16(15)19(22)23/h1-10,20H,(H,18,21)
InChIKeyVPAPTWJFXCWOKO-UHFFFAOYSA-N
MW308.29 g/mol
LogP3.71
Rot. Bonds3

About 3-hydroxy-N-(2-nitrophenyl)naphthalene-1-carboxamide

3-hydroxy-N-(2-nitrophenyl)naphthalene-1-carboxamide (PubChem CID 139771918) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is 3-hydroxy-N-(2-nitrophenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-nitrophenyl)naphthalene-1-carboxamide
PubChem CID139771918
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name3-hydroxy-N-(2-nitrophenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cc(O)cc2ccccc12
InChIInChI=1S/C17H12N2O4/c20-12-9-11-5-1-2-6-13(11)14(10-12)17(21)18-15-7-3-4-8-16(15)19(22)23/h1-10,20H,(H,18,21)
InChIKeyVPAPTWJFXCWOKO-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'}

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Related Compounds

2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
CID 15997975
2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 4601921
2,4-dibromo-N-(2-nitrophenyl)benzamide
CID 107951959
2,4-difluoro-N-(2-nitrophenyl)benzamide
CID 4779161
2-(5-chlorothiophen-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 4115953
2,4-dimethoxy-N-(2-nitrophenyl)benzamide
CID 5149681
2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 3565307
2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide
CID 60667245
2-amino-4-bromo-N-(2-nitrophenyl)benzamide
CID 79714381
1-(2-nitrophenyl)-3-sulfonylurea
CID 87460922
N-(5-chloro-2-methoxyphenyl)-3-hydroxynaphthalene-1-carboxamide
CID 18757585
2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide
CID 38112763

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-nitrophenyl)naphthalene-1-carboxamide?
The IUPAC name of 3-hydroxy-N-(2-nitrophenyl)naphthalene-1-carboxamide (CID 139771918) is 3-hydroxy-N-(2-nitrophenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(2-nitrophenyl)naphthalene-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-(2-nitrophenyl)naphthalene-1-carboxamide is O=C(Nc1ccccc1[N+](=O)[O-])c1cc(O)cc2ccccc12.
What is the InChIKey of 3-hydroxy-N-(2-nitrophenyl)naphthalene-1-carboxamide?
The InChIKey is VPAPTWJFXCWOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c20-12-9-11-5-1-2-6-13(11)14(10-12)17(21)18-15-7-3-4-8-16(15)19(22)23/h1-10,20H,(H,18,21).
What are the key properties of 3-hydroxy-N-(2-nitrophenyl)naphthalene-1-carboxamide?
3-hydroxy-N-(2-nitrophenyl)naphthalene-1-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 3-hydroxy-N-(2-nitrophenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 139771918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).