2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C16H13F4NO — CID 2569861

IUPAC2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccccc1F)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F4NO/c17-14-7-2-1-5-12(14)9-15(22)21-10-11-4-3-6-13(8-11)16(18,19)20/h1-8H,9-10H2,(H,21,22)
InChIKeyWNHDPIUVVUIANP-UHFFFAOYSA-N
MW311.28 g/mol
LogP3.70
Rot. Bonds4

About 2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 2569861) has the molecular formula C16H13F4NO and a molecular weight of 311.28 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID2569861
Molecular FormulaC16H13F4NO
Molecular Weight311.28 g/mol
Exact Mass311.09
IUPAC Name2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccccc1F)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F4NO/c17-14-7-2-1-5-12(14)9-15(22)21-10-11-4-3-6-13(8-11)16(18,19)20/h1-8H,9-10H2,(H,21,22)
InChIKeyWNHDPIUVVUIANP-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 38240797
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208
N-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 135159119
2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 5223974
(E)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 26241538
6-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 43529482
2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 79463391
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
N-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 46512922
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 51968871

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 2569861) is 2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is O=C(Cc1ccccc1F)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is WNHDPIUVVUIANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO/c17-14-7-2-1-5-12(14)9-15(22)21-10-11-4-3-6-13(8-11)16(18,19)20/h1-8H,9-10H2,(H,21,22).
What are the key properties of 2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 311.28 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 2569861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).