2-fluoro-4-methyl-N-(1-phenylethyl)benzamide

C16H16FNO — CID 79770350

IUPAC2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
SMILESCc1ccc(C(=O)NC(C)c2ccccc2)c(F)c1
InChIInChI=1S/C16H16FNO/c1-11-8-9-14(15(17)10-11)16(19)18-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,18,19)
InChIKeyCAVUTJCZAGGCQM-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.63
Rot. Bonds3

About 2-fluoro-4-methyl-N-(1-phenylethyl)benzamide

2-fluoro-4-methyl-N-(1-phenylethyl)benzamide (PubChem CID 79770350) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
PubChem CID79770350
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
SMILESCc1ccc(C(=O)NC(C)c2ccccc2)c(F)c1
InChIInChI=1S/C16H16FNO/c1-11-8-9-14(15(17)10-11)16(19)18-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,18,19)
InChIKeyCAVUTJCZAGGCQM-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 79778156
2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 79770895
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46590164
4-cyano-2-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 7393089
N-(2-chloro-1-phenylethyl)-2-fluoro-4-methylbenzamide
CID 114300235
2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide
CID 2333383
2-fluoro-5-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 62511341
N-[1-(4-bromophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62515712
2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide
CID 53374350
2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 62512005

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-fluoro-4-methyl-N-(1-phenylethyl)benzamide (CID 79770350) is 2-fluoro-4-methyl-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-fluoro-4-methyl-N-(1-phenylethyl)benzamide is Cc1ccc(C(=O)NC(C)c2ccccc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-(1-phenylethyl)benzamide?
The InChIKey is CAVUTJCZAGGCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-11-8-9-14(15(17)10-11)16(19)18-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,18,19).
What are the key properties of 2-fluoro-4-methyl-N-(1-phenylethyl)benzamide?
2-fluoro-4-methyl-N-(1-phenylethyl)benzamide has a molecular weight of 257.31 g/mol, XLogP of 3.63, 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-phenylethyl)benzamide is sourced from PubChem (CID 79770350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).