2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide

C16H15F2NO2 — CID 28560292

IUPAC2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H15F2NO2/c1-10(11-3-6-13(21-2)7-4-11)19-16(20)14-8-5-12(17)9-15(14)18/h3-10H,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyKOBZKRPVPKKQKV-JTQLQIEISA-N
MW291.30 g/mol
LogP3.46
Rot. Bonds4

About 2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide

2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 28560292) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
PubChem CID28560292
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H15F2NO2/c1-10(11-3-6-13(21-2)7-4-11)19-16(20)14-8-5-12(17)9-15(14)18/h3-10H,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyKOBZKRPVPKKQKV-JTQLQIEISA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 60739114
2,4-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 43006008
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 62865993
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
N-[(1S)-1-(4-fluorophenyl)ethyl]-7-methoxy-2-oxochromene-3-carboxamide
CID 100795284
2-[1-(4-methoxyphenyl)ethylcarbamoyl]terephthalic acid
CID 50876855
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 155540745
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide
CID 86906510
N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 55523191
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 92683618

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide (CID 28560292) is 2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide is COc1ccc([C@H](C)NC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is KOBZKRPVPKKQKV-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-10(11-3-6-13(21-2)7-4-11)19-16(20)14-8-5-12(17)9-15(14)18/h3-10H,1-2H3,(H,19,20)/t10-/m0/s1.
What are the key properties of 2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 291.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 28560292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).