5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide

C19H16BrNO3 — CID 1369979

IUPAC5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc3c(Br)cccc23)c1
InChIInChI=1S/C19H16BrNO3/c1-23-12-9-10-18(24-2)17(11-12)21-19(22)15-7-3-6-14-13(15)5-4-8-16(14)20/h3-11H,1-2H3,(H,21,22)
InChIKeyLCNZVGRSPMFIKL-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.87
Rot. Bonds4

About 5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide

5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide (PubChem CID 1369979) has the molecular formula C19H16BrNO3 and a molecular weight of 386.25 g/mol. Its IUPAC name is 5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide
PubChem CID1369979
Molecular FormulaC19H16BrNO3
Molecular Weight386.25 g/mol
Exact Mass385.03
IUPAC Name5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc3c(Br)cccc23)c1
InChIInChI=1S/C19H16BrNO3/c1-23-12-9-10-18(24-2)17(11-12)21-19(22)15-7-3-6-14-13(15)5-4-8-16(14)20/h3-11H,1-2H3,(H,21,22)
InChIKeyLCNZVGRSPMFIKL-UHFFFAOYSA-N
XLogP4.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020427
3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide
CID 103989322
5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 17101910
3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
CID 91722818
2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid
CID 1348361
N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide
CID 966884
5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide
CID 3491041
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355355
4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 55883648
N-(2,5-dimethoxyphenyl)-1-methylindole-3-carboxamide
CID 25343212
N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide
CID 62415657
N-(2,5-dimethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4779254

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide?
The IUPAC name of 5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide (CID 1369979) is 5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide?
The canonical SMILES for 5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide is COc1ccc(OC)c(NC(=O)c2cccc3c(Br)cccc23)c1.
What is the InChIKey of 5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide?
The InChIKey is LCNZVGRSPMFIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO3/c1-23-12-9-10-18(24-2)17(11-12)21-19(22)15-7-3-6-14-13(15)5-4-8-16(14)20/h3-11H,1-2H3,(H,21,22).
What are the key properties of 5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide?
5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 1369979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).