2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide

C17H18FNO — CID 79770895

IUPAC2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)c2ccccc2C)c(F)c1
InChIInChI=1S/C17H18FNO/c1-11-8-9-15(16(18)10-11)17(20)19-13(3)14-7-5-4-6-12(14)2/h4-10,13H,1-3H3,(H,19,20)
InChIKeyUBLSVIOOTJHRIN-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.93
Rot. Bonds3

About 2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide

2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide (PubChem CID 79770895) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
PubChem CID79770895
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)c2ccccc2C)c(F)c1
InChIInChI=1S/C17H18FNO/c1-11-8-9-15(16(18)10-11)17(20)19-13(3)14-7-5-4-6-12(14)2/h4-10,13H,1-3H3,(H,19,20)
InChIKeyUBLSVIOOTJHRIN-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
CID 79770350
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
4-fluoro-2-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 107015172
N-[1-(2-fluorophenyl)ethyl]-5-methyl-2-(methylamino)benzamide
CID 62508680
2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 24594478
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide
CID 43297799
N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-fluoro-4-methylbenzamide
CID 56758673
3-amino-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide
CID 107120653
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide
CID 16560846
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide (CID 79770895) is 2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide is Cc1ccc(C(=O)NC(C)c2ccccc2C)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide?
The InChIKey is UBLSVIOOTJHRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11-8-9-15(16(18)10-11)17(20)19-13(3)14-7-5-4-6-12(14)2/h4-10,13H,1-3H3,(H,19,20).
What are the key properties of 2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide?
2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide has a molecular weight of 271.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 79770895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).