3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide

C22H18F3NO — CID 55609022

IUPAC3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)NC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H18F3NO/c23-18-10-8-17(9-11-18)22(16-4-2-1-3-5-16)26-21(27)13-7-15-6-12-19(24)20(25)14-15/h1-6,8-12,14,22H,7,13H2,(H,26,27)
InChIKeyLUQYNXJKSIAKPS-UHFFFAOYSA-N
MW369.39 g/mol
LogP4.94
Rot. Bonds6

About 3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide

3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide (PubChem CID 55609022) has the molecular formula C22H18F3NO and a molecular weight of 369.39 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide
PubChem CID55609022
Molecular FormulaC22H18F3NO
Molecular Weight369.39 g/mol
Exact Mass369.13
IUPAC Name3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)NC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H18F3NO/c23-18-10-8-17(9-11-18)22(16-4-2-1-3-5-16)26-21(27)13-7-15-6-12-19(24)20(25)14-15/h1-6,8-12,14,22H,7,13H2,(H,26,27)
InChIKeyLUQYNXJKSIAKPS-UHFFFAOYSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 86929443
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133186877
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43427720
N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide
CID 985952
(2R)-2-[3-(3,4-difluorophenyl)propanoylamino]-3-methylbutanoic acid
CID 79010917
N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide
CID 51276777
4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201110
N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide
CID 86894208
2-(4-fluorophenyl)-N-[(R)-(3-methylphenyl)-phenylmethyl]acetamide
CID 100750032
N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
CID 110781032

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide (CID 55609022) is 3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide is O=C(CCc1ccc(F)c(F)c1)NC(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide?
The InChIKey is LUQYNXJKSIAKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO/c23-18-10-8-17(9-11-18)22(16-4-2-1-3-5-16)26-21(27)13-7-15-6-12-19(24)20(25)14-15/h1-6,8-12,14,22H,7,13H2,(H,26,27).
What are the key properties of 3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide?
3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide has a molecular weight of 369.39 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide is sourced from PubChem (CID 55609022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).