3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide

C21H18F2N2O — CID 86929443

IUPAC3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C21H18F2N2O/c22-18-8-6-15(14-19(18)23)7-9-20(26)25-21(16-4-2-1-3-5-16)17-10-12-24-13-11-17/h1-6,8,10-14,21H,7,9H2,(H,25,26)
InChIKeyLKJVEWDLCGPAEH-UHFFFAOYSA-N
MW352.38 g/mol
LogP4.20
Rot. Bonds6

About 3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide

3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide (PubChem CID 86929443) has the molecular formula C21H18F2N2O and a molecular weight of 352.38 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
PubChem CID86929443
Molecular FormulaC21H18F2N2O
Molecular Weight352.38 g/mol
Exact Mass352.14
IUPAC Name3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C21H18F2N2O/c22-18-8-6-15(14-19(18)23)7-9-20(26)25-21(16-4-2-1-3-5-16)17-10-12-24-13-11-17/h1-6,8,10-14,21H,7,9H2,(H,25,26)
InChIKeyLKJVEWDLCGPAEH-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide
CID 55609022
3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 60592502
4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride
CID 119854176
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-phenylacetamide
CID 110442330
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
(2R)-2-[3-(3,4-difluorophenyl)propanoylamino]-3-methylbutanoic acid
CID 79010917
3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133186877
2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 60521938
N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide
CID 51276777
3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43427720
N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
CID 110781032
N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide
CID 985952

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide (CID 86929443) is 3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide is O=C(CCc1ccc(F)c(F)c1)NC(c1ccccc1)c1ccncc1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide?
The InChIKey is LKJVEWDLCGPAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O/c22-18-8-6-15(14-19(18)23)7-9-20(26)25-21(16-4-2-1-3-5-16)17-10-12-24-13-11-17/h1-6,8,10-14,21H,7,9H2,(H,25,26).
What are the key properties of 3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide?
3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide has a molecular weight of 352.38 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide is sourced from PubChem (CID 86929443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).