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

C17H18BrNO — CID 3329831

IUPAC2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C17H18BrNO/c1-11-8-9-12(2)15(10-11)13(3)19-17(20)14-6-4-5-7-16(14)18/h4-10,13H,1-3H3,(H,19,20)
InChIKeyKKNFCXADGGSAHU-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.56
Rot. Bonds3

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

2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide (PubChem CID 3329831) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
PubChem CID3329831
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C17H18BrNO/c1-11-8-9-12(2)15(10-11)13(3)19-17(20)14-6-4-5-7-16(14)18/h4-10,13H,1-3H3,(H,19,20)
InChIKeyKKNFCXADGGSAHU-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide (CID 3329831) is 2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide is Cc1ccc(C)c(C(C)NC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide?
The InChIKey is KKNFCXADGGSAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-11-8-9-12(2)15(10-11)13(3)19-17(20)14-6-4-5-7-16(14)18/h4-10,13H,1-3H3,(H,19,20).
What are the key properties of 2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide?
2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide has a molecular weight of 332.24 g/mol, XLogP of 4.56, 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-(2,5-dimethylphenyl)ethyl]benzamide is sourced from PubChem (CID 3329831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).