5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide

C18H13Br2NO — CID 3475796

IUPAC5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cccc2c(Br)cccc12
InChIInChI=1S/C18H13Br2NO/c1-11-10-12(19)8-9-17(11)21-18(22)15-6-2-5-14-13(15)4-3-7-16(14)20/h2-10H,1H3,(H,21,22)
InChIKeySZCVKBSFNXINKW-UHFFFAOYSA-N
MW419.12 g/mol
LogP5.93
Rot. Bonds2

About 5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide

5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide (PubChem CID 3475796) has the molecular formula C18H13Br2NO and a molecular weight of 419.12 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide
PubChem CID3475796
Molecular FormulaC18H13Br2NO
Molecular Weight419.12 g/mol
Exact Mass416.94
IUPAC Name5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cccc2c(Br)cccc12
InChIInChI=1S/C18H13Br2NO/c1-11-10-12(19)8-9-17(11)21-18(22)15-6-2-5-14-13(15)4-3-7-16(14)20/h2-10H,1H3,(H,21,22)
InChIKeySZCVKBSFNXINKW-UHFFFAOYSA-N
XLogP5.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.12
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[(4-bromo-2-methylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 17112344
5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide
CID 3491041
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid
CID 28668607
N-(4-bromo-2-methylphenyl)-2-sulfanylbenzamide
CID 113220443
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
N-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide
CID 62649691
4-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-3-methylbenzoic acid
CID 91673644
5-bromo-N-(2-fluoro-4-iodophenyl)naphthalene-1-carboxamide
CID 17111228
N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
CID 953255
3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 106543986
N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide
CID 4631177

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide?
The IUPAC name of 5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide (CID 3475796) is 5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for 5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide is Cc1cc(Br)ccc1NC(=O)c1cccc2c(Br)cccc12.
What is the InChIKey of 5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide?
The InChIKey is SZCVKBSFNXINKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br2NO/c1-11-10-12(19)8-9-17(11)21-18(22)15-6-2-5-14-13(15)4-3-7-16(14)20/h2-10H,1H3,(H,21,22).
What are the key properties of 5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide?
5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide has a molecular weight of 419.12 g/mol, XLogP of 5.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 3475796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).