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

C16H16FNO — CID 46590164

IUPAC2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H16FNO/c1-11-7-9-13(10-8-11)12(2)18-16(19)14-5-3-4-6-15(14)17/h3-10,12H,1-2H3,(H,18,19)
InChIKeyVCMUEEJLYKMWIK-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.63
Rot. Bonds3

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

2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide (PubChem CID 46590164) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
PubChem CID46590164
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H16FNO/c1-11-7-9-13(10-8-11)12(2)18-16(19)14-5-3-4-6-15(14)17/h3-10,12H,1-2H3,(H,18,19)
InChIKeyVCMUEEJLYKMWIK-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

2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42955470
2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 40585288
2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
CID 79770350
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide
CID 94062816
2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide
CID 2981930
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55916551
N-[1-(4-bromophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62515712
N-(1,1-diphenylpropan-2-yl)-2-fluorobenzamide
CID 46432015
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide (CID 46590164) is 2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is VCMUEEJLYKMWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-11-7-9-13(10-8-11)12(2)18-16(19)14-5-3-4-6-15(14)17/h3-10,12H,1-2H3,(H,18,19).
What are the key properties of 2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide?
2-fluoro-N-[1-(4-methylphenyl)ethyl]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-N-[1-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 46590164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).