3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide

C16H13F4NO — CID 27844351

IUPAC3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F4NO/c17-13-6-1-11(2-7-13)3-10-15(22)21-14-8-4-12(5-9-14)16(18,19)20/h1-2,4-9H,3,10H2,(H,21,22)
InChIKeyKUKYRRUGZTVCTR-UHFFFAOYSA-N
MW311.28 g/mol
LogP4.42
Rot. Bonds4

About 3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide

3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 27844351) has the molecular formula C16H13F4NO and a molecular weight of 311.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID27844351
Molecular FormulaC16H13F4NO
Molecular Weight311.28 g/mol
Exact Mass311.09
IUPAC Name3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F4NO/c17-13-6-1-11(2-7-13)3-10-15(22)21-14-8-4-12(5-9-14)16(18,19)20/h1-2,4-9H,3,10H2,(H,21,22)
InChIKeyKUKYRRUGZTVCTR-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109025174
3-(4-fluorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 110622806
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113121176
3-(4-fluorophenyl)-N-pyridin-4-ylpropanamide
CID 30157880
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 86897509
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113164436
2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9251999
3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26716432
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide
CID 18195960
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 2234602
3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38167098
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 110390501

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide (CID 27844351) is 3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is KUKYRRUGZTVCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO/c17-13-6-1-11(2-7-13)3-10-15(22)21-14-8-4-12(5-9-14)16(18,19)20/h1-2,4-9H,3,10H2,(H,21,22).
What are the key properties of 3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide?
3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 311.28 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 27844351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).