3,5-dihydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide

C17H12N2O5 — CID 67849369

IUPAC3,5-dihydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cc2cccc(O)c2cc1O
InChIInChI=1S/C17H12N2O5/c20-15-6-1-3-10-7-14(16(21)9-13(10)15)17(22)18-11-4-2-5-12(8-11)19(23)24/h1-9,20-21H,(H,18,22)
InChIKeyOMUMJEBFFAZHDT-UHFFFAOYSA-N
MW324.29 g/mol
LogP3.41
Rot. Bonds3

About 3,5-dihydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide

3,5-dihydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide (PubChem CID 67849369) has the molecular formula C17H12N2O5 and a molecular weight of 324.29 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
PubChem CID67849369
Molecular FormulaC17H12N2O5
Molecular Weight324.29 g/mol
Exact Mass324.07
IUPAC Name3,5-dihydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cc2cccc(O)c2cc1O
InChIInChI=1S/C17H12N2O5/c20-15-6-1-3-10-7-14(16(21)9-13(10)15)17(22)18-11-4-2-5-12(8-11)19(23)24/h1-9,20-21H,(H,18,22)
InChIKeyOMUMJEBFFAZHDT-UHFFFAOYSA-N
XLogP3.41
TPSA112.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 53.41
H-Bond Donors ≤ 53
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

5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide
CID 15745029
2-[(3-nitrophenyl)carbamoyl]benzoate
CID 6935895
2-fluoro-N-(3-nitrophenyl)benzamide
CID 531938
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide
CID 108513330
2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide
CID 16960210
2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
CID 797365
2-amino-3-fluoro-N-(3-nitrophenyl)benzamide
CID 62650434
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide
CID 9410966
4-amino-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 81235802

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide?
The IUPAC name of 3,5-dihydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide (CID 67849369) is 3,5-dihydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3,5-dihydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3,5-dihydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2cccc(O)c2cc1O.
What is the InChIKey of 3,5-dihydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide?
The InChIKey is OMUMJEBFFAZHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O5/c20-15-6-1-3-10-7-14(16(21)9-13(10)15)17(22)18-11-4-2-5-12(8-11)19(23)24/h1-9,20-21H,(H,18,22).
What are the key properties of 3,5-dihydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide?
3,5-dihydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide has a molecular weight of 324.29 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 67849369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).