3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide

C17H18BrNO — CID 106899931

IUPAC3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide
SMILESCCc1ccc(CNC(=O)c2cc(C)cc(Br)c2)cc1
InChIInChI=1S/C17H18BrNO/c1-3-13-4-6-14(7-5-13)11-19-17(20)15-8-12(2)9-16(18)10-15/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyVZTWHWBEUGFHEU-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.25
Rot. Bonds4

About 3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide

3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide (PubChem CID 106899931) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide
PubChem CID106899931
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide
SMILESCCc1ccc(CNC(=O)c2cc(C)cc(Br)c2)cc1
InChIInChI=1S/C17H18BrNO/c1-3-13-4-6-14(7-5-13)11-19-17(20)15-8-12(2)9-16(18)10-15/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyVZTWHWBEUGFHEU-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide
CID 61400488
N-[[4-(2-aminoethyl)phenyl]methyl]-3-bromo-5-methylbenzamide
CID 115999593
3-amino-5-bromo-N-[(4-ethylphenyl)methyl]benzamide
CID 106899126
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 104851859
3-bromo-N-[(3-cyanophenyl)methyl]-5-methylbenzamide
CID 104851511
4-bromo-N-[(4-ethylphenyl)methyl]-2,6-difluorobenzamide
CID 103746958
3-bromo-5-methyl-N-(2-oxopropyl)benzamide
CID 104851607
3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide
CID 113460610
3-bromo-N-butyl-5-methylbenzamide
CID 104851755
3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide
CID 104852791
3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide
CID 91172760

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide?
The IUPAC name of 3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide (CID 106899931) is 3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide is CCc1ccc(CNC(=O)c2cc(C)cc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide?
The InChIKey is VZTWHWBEUGFHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-3-13-4-6-14(7-5-13)11-19-17(20)15-8-12(2)9-16(18)10-15/h4-10H,3,11H2,1-2H3,(H,19,20).
What are the key properties of 3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide?
3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide has a molecular weight of 332.24 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide is sourced from PubChem (CID 106899931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).