N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide

C16H16FNO — CID 668304

IUPACN-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(NC(=O)CCc2ccccc2)cc1F
InChIInChI=1S/C16H16FNO/c1-12-7-9-14(11-15(12)17)18-16(19)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,18,19)
InChIKeyZNVYFQVPIPNWFB-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.71
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide

N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide (PubChem CID 668304) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
PubChem CID668304
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC NameN-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(NC(=O)CCc2ccccc2)cc1F
InChIInChI=1S/C16H16FNO/c1-12-7-9-14(11-15(12)17)18-16(19)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,18,19)
InChIKeyZNVYFQVPIPNWFB-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide
CID 52559111
3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 46657771
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 29207331
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874560
N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide
CID 60841509
N-(3-fluoro-4-hydroxyphenyl)-3-(4-methylphenyl)propanamide
CID 64780504
N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54820849
2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 2099416
N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839907
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide (CID 668304) is N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide is Cc1ccc(NC(=O)CCc2ccccc2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide?
The InChIKey is ZNVYFQVPIPNWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-12-7-9-14(11-15(12)17)18-16(19)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,18,19).
What are the key properties of N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide?
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide has a molecular weight of 257.31 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 668304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).