3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide

C18H14N2O4 — CID 598391

IUPAC3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3cc2O)c([N+](=O)[O-])c1
InChIInChI=1S/C18H14N2O4/c1-11-6-7-15(16(8-11)20(23)24)19-18(22)14-9-12-4-2-3-5-13(12)10-17(14)21/h2-10,21H,1H3,(H,19,22)
InChIKeyYICJTPCVCUXGLG-UHFFFAOYSA-N
MW322.32 g/mol
LogP4.01
Rot. Bonds3

About 3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide

3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide (PubChem CID 598391) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide
PubChem CID598391
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3cc2O)c([N+](=O)[O-])c1
InChIInChI=1S/C18H14N2O4/c1-11-6-7-15(16(8-11)20(23)24)19-18(22)14-9-12-4-2-3-5-13(12)10-17(14)21/h2-10,21H,1H3,(H,19,22)
InChIKeyYICJTPCVCUXGLG-UHFFFAOYSA-N
XLogP4.01
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 54.01
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

N-(4-methyl-2-nitrophenyl)-2-methylsulfanylbenzamide
CID 8795558
2-[(4-methyl-2-nitrophenyl)carbamoyl]-3-nitrobenzoic acid
CID 4227551
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide
CID 3539530
5-bromo-2-chloro-N-(4-methyl-2-nitrophenyl)benzamide
CID 2886785
N-(4-methyl-2-nitrophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 2888714
N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
CID 26522920
N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
CID 134120931
4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 81227319
N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide
CID 2833332
3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide
CID 105066539
1-(4-methyl-2-nitrophenyl)-3-naphthalen-1-ylthiourea
CID 17380362

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide (CID 598391) is 3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide is Cc1ccc(NC(=O)c2cc3ccccc3cc2O)c([N+](=O)[O-])c1.
What is the InChIKey of 3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide?
The InChIKey is YICJTPCVCUXGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-11-6-7-15(16(8-11)20(23)24)19-18(22)14-9-12-4-2-3-5-13(12)10-17(14)21/h2-10,21H,1H3,(H,19,22).
What are the key properties of 3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide?
3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 598391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).