2-bromo-N-(2-bromo-4-ethylphenyl)benzamide

C15H13Br2NO — CID 53268216

IUPAC2-bromo-N-(2-bromo-4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccccc2Br)c(Br)c1
InChIInChI=1S/C15H13Br2NO/c1-2-10-7-8-14(13(17)9-10)18-15(19)11-5-3-4-6-12(11)16/h3-9H,2H2,1H3,(H,18,19)
InChIKeyBMVIKMXDUIHYKB-UHFFFAOYSA-N
MW383.08 g/mol
LogP5.03
Rot. Bonds3

About 2-bromo-N-(2-bromo-4-ethylphenyl)benzamide

2-bromo-N-(2-bromo-4-ethylphenyl)benzamide (PubChem CID 53268216) has the molecular formula C15H13Br2NO and a molecular weight of 383.08 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-4-ethylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-4-ethylphenyl)benzamide
PubChem CID53268216
Molecular FormulaC15H13Br2NO
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name2-bromo-N-(2-bromo-4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccccc2Br)c(Br)c1
InChIInChI=1S/C15H13Br2NO/c1-2-10-7-8-14(13(17)9-10)18-15(19)11-5-3-4-6-12(11)16/h3-9H,2H2,1H3,(H,18,19)
InChIKeyBMVIKMXDUIHYKB-UHFFFAOYSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.08
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide
CID 1313742
N-(2-bromo-4-ethylphenyl)-4-phenylbenzamide
CID 53268266
N-(2-bromo-4-ethylphenyl)-3-methylbenzamide
CID 53268245
N-(2-bromo-4-ethylphenyl)-3-chlorobenzamide
CID 53268205
methyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate
CID 19168688
N-(2-bromo-4-butylphenyl)-2-ethoxybenzamide
CID 53267898
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide
CID 103817725
2-bromo-N-[2-[(1S)-1-hydroxypropyl]phenyl]benzamide
CID 7337857
N-(2-bromo-4-methylphenyl)-4-ethylbenzamide
CID 2547142
methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate
CID 108767103
N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide
CID 53268191

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-4-ethylphenyl)benzamide?
The IUPAC name of 2-bromo-N-(2-bromo-4-ethylphenyl)benzamide (CID 53268216) is 2-bromo-N-(2-bromo-4-ethylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-bromo-4-ethylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-bromo-4-ethylphenyl)benzamide is CCc1ccc(NC(=O)c2ccccc2Br)c(Br)c1.
What is the InChIKey of 2-bromo-N-(2-bromo-4-ethylphenyl)benzamide?
The InChIKey is BMVIKMXDUIHYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO/c1-2-10-7-8-14(13(17)9-10)18-15(19)11-5-3-4-6-12(11)16/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(2-bromo-4-ethylphenyl)benzamide?
2-bromo-N-(2-bromo-4-ethylphenyl)benzamide has a molecular weight of 383.08 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromo-4-ethylphenyl)benzamide is sourced from PubChem (CID 53268216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).