2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide

C16H15Br2NO — CID 81110213

IUPAC2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC(C)c2ccccc2Br)c1
InChIInChI=1S/C16H15Br2NO/c1-10-7-8-15(18)13(9-10)16(20)19-11(2)12-5-3-4-6-14(12)17/h3-9,11H,1-2H3,(H,19,20)
InChIKeyYXHQVSBWROUWPF-UHFFFAOYSA-N
MW397.11 g/mol
LogP5.01
Rot. Bonds3

About 2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide

2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide (PubChem CID 81110213) has the molecular formula C16H15Br2NO and a molecular weight of 397.11 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
PubChem CID81110213
Molecular FormulaC16H15Br2NO
Molecular Weight397.11 g/mol
Exact Mass394.95
IUPAC Name2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC(C)c2ccccc2Br)c1
InChIInChI=1S/C16H15Br2NO/c1-10-7-8-15(18)13(9-10)16(20)19-11(2)12-5-3-4-6-14(12)17/h3-9,11H,1-2H3,(H,19,20)
InChIKeyYXHQVSBWROUWPF-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.11
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide
CID 80966287
2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 114371335
2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 80958201
N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
CID 42998565
5-amino-N-[1-(2-bromophenyl)ethyl]-2-methylbenzamide
CID 61291745
5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 115297476
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide
CID 26085546
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-5-methylbenzamide
CID 171385167
N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide
CID 80980301
N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide
CID 60706338

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide?
The IUPAC name of 2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide (CID 81110213) is 2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide is Cc1ccc(Br)c(C(=O)NC(C)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide?
The InChIKey is YXHQVSBWROUWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO/c1-10-7-8-15(18)13(9-10)16(20)19-11(2)12-5-3-4-6-14(12)17/h3-9,11H,1-2H3,(H,19,20).
What are the key properties of 2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide?
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide has a molecular weight of 397.11 g/mol, XLogP of 5.01, 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]-5-methylbenzamide is sourced from PubChem (CID 81110213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).