4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide

C17H18BrNO — CID 60630849

IUPAC4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO/c1-3-13-4-6-14(7-5-13)12-19(2)17(20)15-8-10-16(18)11-9-15/h4-11H,3,12H2,1-2H3
InChIKeyUYNINOLWJBMRAM-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.28
Rot. Bonds4

About 4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide

4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide (PubChem CID 60630849) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
PubChem CID60630849
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO/c1-3-13-4-6-14(7-5-13)12-19(2)17(20)15-8-10-16(18)11-9-15/h4-11H,3,12H2,1-2H3
InChIKeyUYNINOLWJBMRAM-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-[(4-bromophenyl)methyl]-N-methyl-4-methylsulfonylbenzamide
CID 9416389
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
3-bromo-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide
CID 81458308
4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 81295242
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401
5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630930
5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735624
N-[(4-ethylphenyl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 38045291
4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62680598
N-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide
CID 115193695
4-benzamido-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 46536995

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide (CID 60630849) is 4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide is CCc1ccc(CN(C)C(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide?
The InChIKey is UYNINOLWJBMRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-3-13-4-6-14(7-5-13)12-19(2)17(20)15-8-10-16(18)11-9-15/h4-11H,3,12H2,1-2H3.
What are the key properties of 4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide?
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide has a molecular weight of 332.24 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 60630849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).