4-bromo-N-[(4-ethylphenyl)methyl]-2,6-difluorobenzamide

C16H14BrF2NO — CID 103746958

IUPAC4-bromo-N-[(4-ethylphenyl)methyl]-2,6-difluorobenzamide
SMILESCCc1ccc(CNC(=O)c2c(F)cc(Br)cc2F)cc1
InChIInChI=1S/C16H14BrF2NO/c1-2-10-3-5-11(6-4-10)9-20-16(21)15-13(18)7-12(17)8-14(15)19/h3-8H,2,9H2,1H3,(H,20,21)
InChIKeyMIFGGMGVKRMWAD-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.22
Rot. Bonds4

About 4-bromo-N-[(4-ethylphenyl)methyl]-2,6-difluorobenzamide

4-bromo-N-[(4-ethylphenyl)methyl]-2,6-difluorobenzamide (PubChem CID 103746958) has the molecular formula C16H14BrF2NO and a molecular weight of 354.19 g/mol. Its IUPAC name is 4-bromo-N-[(4-ethylphenyl)methyl]-2,6-difluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[(4-ethylphenyl)methyl]-2,6-difluorobenzamide
PubChem CID103746958
Molecular FormulaC16H14BrF2NO
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name4-bromo-N-[(4-ethylphenyl)methyl]-2,6-difluorobenzamide
SMILESCCc1ccc(CNC(=O)c2c(F)cc(Br)cc2F)cc1
InChIInChI=1S/C16H14BrF2NO/c1-2-10-3-5-11(6-4-10)9-20-16(21)15-13(18)7-12(17)8-14(15)19/h3-8H,2,9H2,1H3,(H,20,21)
InChIKeyMIFGGMGVKRMWAD-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide
CID 65099122
3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide
CID 106899931
3-amino-5-bromo-N-[(4-ethylphenyl)methyl]benzamide
CID 106899126
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
N-[(4-ethylphenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107037277
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917477
2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4597287
N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide
CID 71822308
4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577900
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide
CID 107233860
[4-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium
CID 8533449

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-ethylphenyl)methyl]-2,6-difluorobenzamide?
The IUPAC name of 4-bromo-N-[(4-ethylphenyl)methyl]-2,6-difluorobenzamide (CID 103746958) is 4-bromo-N-[(4-ethylphenyl)methyl]-2,6-difluorobenzamide.
What is the SMILES notation for 4-bromo-N-[(4-ethylphenyl)methyl]-2,6-difluorobenzamide?
The canonical SMILES for 4-bromo-N-[(4-ethylphenyl)methyl]-2,6-difluorobenzamide is CCc1ccc(CNC(=O)c2c(F)cc(Br)cc2F)cc1.
What is the InChIKey of 4-bromo-N-[(4-ethylphenyl)methyl]-2,6-difluorobenzamide?
The InChIKey is MIFGGMGVKRMWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO/c1-2-10-3-5-11(6-4-10)9-20-16(21)15-13(18)7-12(17)8-14(15)19/h3-8H,2,9H2,1H3,(H,20,21).
What are the key properties of 4-bromo-N-[(4-ethylphenyl)methyl]-2,6-difluorobenzamide?
4-bromo-N-[(4-ethylphenyl)methyl]-2,6-difluorobenzamide has a molecular weight of 354.19 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-ethylphenyl)methyl]-2,6-difluorobenzamide is sourced from PubChem (CID 103746958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).