5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide

C19H16BrNO2 — CID 3491041

IUPAC5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide
SMILESCc1cc(O)c(NC(=O)c2cccc3c(Br)cccc23)cc1C
InChIInChI=1S/C19H16BrNO2/c1-11-9-17(18(22)10-12(11)2)21-19(23)15-7-3-6-14-13(15)5-4-8-16(14)20/h3-10,22H,1-2H3,(H,21,23)
InChIKeyNZPYCYHBLKRBKO-UHFFFAOYSA-N
MW370.25 g/mol
LogP5.18
Rot. Bonds2

About 5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide

5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide (PubChem CID 3491041) has the molecular formula C19H16BrNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide
PubChem CID3491041
Molecular FormulaC19H16BrNO2
Molecular Weight370.25 g/mol
Exact Mass369.04
IUPAC Name5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide
SMILESCc1cc(O)c(NC(=O)c2cccc3c(Br)cccc23)cc1C
InChIInChI=1S/C19H16BrNO2/c1-11-9-17(18(22)10-12(11)2)21-19(23)15-7-3-6-14-13(15)5-4-8-16(14)20/h3-10,22H,1-2H3,(H,21,23)
InChIKeyNZPYCYHBLKRBKO-UHFFFAOYSA-N
XLogP5.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.25
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 1345965
5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide
CID 3475796
3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid
CID 28668607
5-bromo-N-(2-fluoro-4-iodophenyl)naphthalene-1-carboxamide
CID 17111228
5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide
CID 1369979
5-bromo-N-[(3-bromo-4-hydroxy-5-methylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 91674612
N-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide
CID 1233587
5-bromo-N-[(4-bromo-2-methylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 17112344
5-bromonaphthalene-1-carbohydrazide
CID 22115886
dimethyl 5-[(5-bromonaphthalene-1-carbonyl)amino]benzene-1,3-dicarboxylate
CID 1354324
5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 22780345
5-bromo-N-[4-(2-methylpropanoylamino)phenyl]naphthalene-1-carboxamide
CID 1298059

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide (CID 3491041) is 5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide is Cc1cc(O)c(NC(=O)c2cccc3c(Br)cccc23)cc1C.
What is the InChIKey of 5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide?
The InChIKey is NZPYCYHBLKRBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO2/c1-11-9-17(18(22)10-12(11)2)21-19(23)15-7-3-6-14-13(15)5-4-8-16(14)20/h3-10,22H,1-2H3,(H,21,23).
What are the key properties of 5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide?
5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide has a molecular weight of 370.25 g/mol, XLogP of 5.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 3491041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).