N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide

C17H17F2NO — CID 18129844

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
SMILESCc1cc(CNC(=O)CCc2ccc(F)cc2)ccc1F
InChIInChI=1S/C17H17F2NO/c1-12-10-14(4-8-16(12)19)11-20-17(21)9-5-13-2-6-15(18)7-3-13/h2-4,6-8,10H,5,9,11H2,1H3,(H,20,21)
InChIKeyKNFXVEINLQLFAF-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.52
Rot. Bonds5

About N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide

N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide (PubChem CID 18129844) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
PubChem CID18129844
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
SMILESCc1cc(CNC(=O)CCc2ccc(F)cc2)ccc1F
InChIInChI=1S/C17H17F2NO/c1-12-10-14(4-8-16(12)19)11-20-17(21)9-5-13-2-6-15(18)7-3-13/h2-4,6-8,10H,5,9,11H2,1H3,(H,20,21)
InChIKeyKNFXVEINLQLFAF-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 78878440
N-[(4-fluoro-3-methylphenyl)methyl]-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
CID 25468011
methyl 4-[(4-fluoro-3-methylphenyl)methylamino]-4-oxobutanoate
CID 110779721
3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 63311405
N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
CID 110781032
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 38123056
N-[(4-fluoro-3-methylphenyl)methyl]-3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 17495954
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 33304679
N-[(4-fluoro-3-methylphenyl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 16580078
4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide
CID 51195875

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide (CID 18129844) is N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide is Cc1cc(CNC(=O)CCc2ccc(F)cc2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is KNFXVEINLQLFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-12-10-14(4-8-16(12)19)11-20-17(21)9-5-13-2-6-15(18)7-3-13/h2-4,6-8,10H,5,9,11H2,1H3,(H,20,21).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide?
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 289.33 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 18129844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).