2-[(2-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide

C16H14F4N2O — CID 108997575

IUPAC2-[(2-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNCc1ccccc1F)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F4N2O/c17-14-4-2-1-3-11(14)9-21-10-15(23)22-13-7-5-12(6-8-13)16(18,19)20/h1-8,21H,9-10H2,(H,22,23)
InChIKeyYQKYXYDMRZVVAO-UHFFFAOYSA-N
MW326.29 g/mol
LogP3.57
Rot. Bonds5

About 2-[(2-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[(2-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 108997575) has the molecular formula C16H14F4N2O and a molecular weight of 326.29 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID108997575
Molecular FormulaC16H14F4N2O
Molecular Weight326.29 g/mol
Exact Mass326.10
IUPAC Name2-[(2-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNCc1ccccc1F)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F4N2O/c17-14-4-2-1-3-11(14)9-21-10-15(23)22-13-7-5-12(6-8-13)16(18,19)20/h1-8,21H,9-10H2,(H,22,23)
InChIKeyYQKYXYDMRZVVAO-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26716432
N-(3-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582619
N'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956121
1-[(2-fluorophenyl)methyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100763318
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 26686373
2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60648393
2,2,2-trifluoro-N-[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]acetamide
CID 108933170
2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 770706
3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide
CID 109020896
2-[(2-fluorophenyl)methylamino]acetic acid
CID 5005584
N-[(2-fluorophenyl)methyl]-4-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119718423
2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108993089

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 108997575) is 2-[(2-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CNCc1ccccc1F)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YQKYXYDMRZVVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O/c17-14-4-2-1-3-11(14)9-21-10-15(23)22-13-7-5-12(6-8-13)16(18,19)20/h1-8,21H,9-10H2,(H,22,23).
What are the key properties of 2-[(2-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[(2-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 326.29 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 108997575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).