N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide

C16H15F2NO — CID 110781032

IUPACN-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCc1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2NO/c17-14-8-6-13(10-15(14)18)11-19-16(20)9-7-12-4-2-1-3-5-12/h1-6,8,10H,7,9,11H2,(H,19,20)
InChIKeyCFZBYRDJEXCMBC-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.21
Rot. Bonds5

About N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide

N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide (PubChem CID 110781032) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
PubChem CID110781032
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCc1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2NO/c17-14-8-6-13(10-15(14)18)11-19-16(20)9-7-12-4-2-1-3-5-12/h1-6,8,10H,7,9,11H2,(H,19,20)
InChIKeyCFZBYRDJEXCMBC-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide
CID 110781029
3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide
CID 111102768
3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844
3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 63311405
N-[[4-(bromomethyl)phenyl]methyl]-3-phenylpropanamide
CID 107233854
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
N-[(3,4-difluorophenyl)methyl]-4-(methylamino)butanamide
CID 54966098
3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide
CID 41499879
3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 35619171
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide (CID 110781032) is N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide?
The InChIKey is CFZBYRDJEXCMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c17-14-8-6-13(10-15(14)18)11-19-16(20)9-7-12-4-2-1-3-5-12/h1-6,8,10H,7,9,11H2,(H,19,20).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide?
N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide has a molecular weight of 275.30 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 110781032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).