3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide

C16H14BrF2NO — CID 104852174

IUPAC3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NC(C)c2ccc(F)cc2F)c1
InChIInChI=1S/C16H14BrF2NO/c1-9-5-11(7-12(17)6-9)16(21)20-10(2)14-4-3-13(18)8-15(14)19/h3-8,10H,1-2H3,(H,20,21)
InChIKeyVNJSIZVSZLRGSI-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.53
Rot. Bonds3

About 3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide

3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide (PubChem CID 104852174) has the molecular formula C16H14BrF2NO and a molecular weight of 354.19 g/mol. Its IUPAC name is 3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide
PubChem CID104852174
Molecular FormulaC16H14BrF2NO
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NC(C)c2ccc(F)cc2F)c1
InChIInChI=1S/C16H14BrF2NO/c1-9-5-11(7-12(17)6-9)16(21)20-10(2)14-4-3-13(18)8-15(14)19/h3-8,10H,1-2H3,(H,20,21)
InChIKeyVNJSIZVSZLRGSI-UHFFFAOYSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[1-(2,5-difluorophenyl)ethyl]-5-methylbenzamide
CID 104852163
3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide
CID 104852020
3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 107999356
2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 114371082
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide
CID 26172289
N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
CID 112763849
5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide
CID 51150401
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 26001406
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
CID 60638339
3-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methylbenzamide
CID 104852148

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide?
The IUPAC name of 3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide (CID 104852174) is 3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide is Cc1cc(Br)cc(C(=O)NC(C)c2ccc(F)cc2F)c1.
What is the InChIKey of 3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide?
The InChIKey is VNJSIZVSZLRGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO/c1-9-5-11(7-12(17)6-9)16(21)20-10(2)14-4-3-13(18)8-15(14)19/h3-8,10H,1-2H3,(H,20,21).
What are the key properties of 3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide?
3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide has a molecular weight of 354.19 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide is sourced from PubChem (CID 104852174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).