2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide

C15H13Br2NO — CID 42998507

IUPAC2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C15H13Br2NO/c1-10(11-6-2-4-8-13(11)16)18-15(19)12-7-3-5-9-14(12)17/h2-10H,1H3,(H,18,19)
InChIKeyOAXTUABFOOICIF-UHFFFAOYSA-N
MW383.08 g/mol
LogP4.70
Rot. Bonds3

About 2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide

2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide (PubChem CID 42998507) has the molecular formula C15H13Br2NO and a molecular weight of 383.08 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
PubChem CID42998507
Molecular FormulaC15H13Br2NO
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C15H13Br2NO/c1-10(11-6-2-4-8-13(11)16)18-15(19)12-7-3-5-9-14(12)17/h2-10H,1H3,(H,18,19)
InChIKeyOAXTUABFOOICIF-UHFFFAOYSA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.08
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
CID 42998565
N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide
CID 26085546
N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide
CID 60706338
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
N-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 51530681
4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 55027225
2-amino-4-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]benzamide
CID 81397255
2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide
CID 107074317
2-bromo-N-[(1R)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide
CID 1220452
5-amino-N-[1-(2-bromophenyl)ethyl]-2-methylbenzamide
CID 61291745
2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4782933
N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9152128

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide (CID 42998507) is 2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide is CC(NC(=O)c1ccccc1Br)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide?
The InChIKey is OAXTUABFOOICIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO/c1-10(11-6-2-4-8-13(11)16)18-15(19)12-7-3-5-9-14(12)17/h2-10H,1H3,(H,18,19).
What are the key properties of 2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide?
2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide has a molecular weight of 383.08 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide is sourced from PubChem (CID 42998507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).