2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide

C17H17Br2NO — CID 114371335

IUPAC2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C17H17Br2NO/c1-10-4-5-11(2)14(8-10)12(3)20-17(21)15-9-13(18)6-7-16(15)19/h4-9,12H,1-3H3,(H,20,21)
InChIKeyJGGNDRLXGUEOTQ-UHFFFAOYSA-N
MW411.14 g/mol
LogP5.32
Rot. Bonds3

About 2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide

2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide (PubChem CID 114371335) has the molecular formula C17H17Br2NO and a molecular weight of 411.14 g/mol. Its IUPAC name is 2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
PubChem CID114371335
Molecular FormulaC17H17Br2NO
Molecular Weight411.14 g/mol
Exact Mass408.97
IUPAC Name2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C17H17Br2NO/c1-10-4-5-11(2)14(8-10)12(3)20-17(21)15-9-13(18)6-7-16(15)19/h4-9,12H,1-3H3,(H,20,21)
InChIKeyJGGNDRLXGUEOTQ-UHFFFAOYSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.14
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327144
2,4-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 107951625
5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 65311896
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 114372113
2-bromo-N-[(2S)-1-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51709383
2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 114370055
2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 114371082
3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 47219608
2,5-dibromo-N-(2,5-dimethylphenyl)benzamide
CID 114370020
2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide
CID 1019458
2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 841018

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide (CID 114371335) is 2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide is Cc1ccc(C)c(C(C)NC(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of 2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide?
The InChIKey is JGGNDRLXGUEOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2NO/c1-10-4-5-11(2)14(8-10)12(3)20-17(21)15-9-13(18)6-7-16(15)19/h4-9,12H,1-3H3,(H,20,21).
What are the key properties of 2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide?
2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide has a molecular weight of 411.14 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide is sourced from PubChem (CID 114371335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).