3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide

C16H13F4NO — CID 26716432

IUPAC3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccccc1F)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F4NO/c17-14-4-2-1-3-11(14)5-10-15(22)21-13-8-6-12(7-9-13)16(18,19)20/h1-4,6-9H,5,10H2,(H,21,22)
InChIKeySHICLTQPNHZUAJ-UHFFFAOYSA-N
MW311.28 g/mol
LogP4.42
Rot. Bonds4

About 3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide

3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 26716432) has the molecular formula C16H13F4NO and a molecular weight of 311.28 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID26716432
Molecular FormulaC16H13F4NO
Molecular Weight311.28 g/mol
Exact Mass311.09
IUPAC Name3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccccc1F)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F4NO/c17-14-4-2-1-3-11(14)5-10-15(22)21-13-8-6-12(7-9-13)16(18,19)20/h1-4,6-9H,5,10H2,(H,21,22)
InChIKeySHICLTQPNHZUAJ-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

2-[(2-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
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3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
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3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
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3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide
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N'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
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methyl 3-[[4-[3-(2-fluorophenyl)propanoylamino]benzoyl]amino]propanoate
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3-(2-fluorophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
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N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide
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2-(2-chloro-6-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
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CID 108923344

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide (CID 26716432) is 3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ccccc1F)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SHICLTQPNHZUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO/c17-14-4-2-1-3-11(14)5-10-15(22)21-13-8-6-12(7-9-13)16(18,19)20/h1-4,6-9H,5,10H2,(H,21,22).
What are the key properties of 3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide?
3-(2-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-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 26716432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).