3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide

C17H16F3NO2 — CID 86922885

IUPAC3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide
SMILESCc1cc(F)ccc1NC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H16F3NO2/c1-11-10-13(18)5-8-15(11)21-16(22)9-4-12-2-6-14(7-3-12)23-17(19)20/h2-3,5-8,10,17H,4,9H2,1H3,(H,21,22)
InChIKeyDUCMBDDWKBSXJR-UHFFFAOYSA-N
MW323.31 g/mol
LogP4.31
Rot. Bonds6

About 3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide

3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide (PubChem CID 86922885) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide
PubChem CID86922885
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide
SMILESCc1cc(F)ccc1NC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H16F3NO2/c1-11-10-13(18)5-8-15(11)21-16(22)9-4-12-2-6-14(7-3-12)23-17(19)20/h2-3,5-8,10,17H,4,9H2,1H3,(H,21,22)
InChIKeyDUCMBDDWKBSXJR-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
N-(4-bromo-2,6-dimethylphenyl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 112835584
N-[4-(difluoromethoxy)phenyl]-3-(4-ethylphenyl)propanamide
CID 9427794
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
N-(4-fluoro-2-methylphenyl)-2-(4-methoxyphenyl)acetamide
CID 2676308
ethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate
CID 100648056
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 9023972
3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide
CID 844019
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
CID 27844760
methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
CID 36930959
3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 78876423
3-[4-(difluoromethoxy)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 120881866

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide (CID 86922885) is 3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide is Cc1cc(F)ccc1NC(=O)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide?
The InChIKey is DUCMBDDWKBSXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-11-10-13(18)5-8-15(11)21-16(22)9-4-12-2-6-14(7-3-12)23-17(19)20/h2-3,5-8,10,17H,4,9H2,1H3,(H,21,22).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide?
3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide has a molecular weight of 323.31 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 86922885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).