N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide

C16H14F3NO — CID 63213221

IUPACN-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)c2ccc(F)c(F)c2)ccc1F
InChIInChI=1S/C16H14F3NO/c1-9-7-12(4-5-13(9)17)16(21)20-10(2)11-3-6-14(18)15(19)8-11/h3-8,10H,1-2H3,(H,20,21)
InChIKeyJEOQJWDOYRBYTC-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.90
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide

N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide (PubChem CID 63213221) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide
PubChem CID63213221
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)c2ccc(F)c(F)c2)ccc1F
InChIInChI=1S/C16H14F3NO/c1-9-7-12(4-5-13(9)17)16(21)20-10(2)11-3-6-14(18)15(19)8-11/h3-8,10H,1-2H3,(H,20,21)
InChIKeyJEOQJWDOYRBYTC-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63483320
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213045
4-(chloromethyl)-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 43697335
N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide
CID 51265265
4-(difluoromethylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide
CID 8795001
4-chloro-N-[1-(3,4-difluorophenyl)ethyl]-3-methylsulfonylbenzamide
CID 51150850
N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46522444
N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide
CID 115622752
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 63212879
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide
CID 47034204
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide (CID 63213221) is N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NC(C)c2ccc(F)c(F)c2)ccc1F.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide?
The InChIKey is JEOQJWDOYRBYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-9-7-12(4-5-13(9)17)16(21)20-10(2)11-3-6-14(18)15(19)8-11/h3-8,10H,1-2H3,(H,20,21).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide?
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide has a molecular weight of 293.29 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 63213221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).