2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide

C18H16F4N2O2 — CID 113175132

IUPAC2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccc(F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F4N2O2/c1-12(25)24(16-4-2-3-14(9-16)18(20,21)22)11-17(26)23-10-13-5-7-15(19)8-6-13/h2-9H,10-11H2,1H3,(H,23,26)
InChIKeyDYSXXRFVHJQHTC-UHFFFAOYSA-N
MW368.33 g/mol
LogP3.51
Rot. Bonds5

About 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide

2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 113175132) has the molecular formula C18H16F4N2O2 and a molecular weight of 368.33 g/mol. Its IUPAC name is 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID113175132
Molecular FormulaC18H16F4N2O2
Molecular Weight368.33 g/mol
Exact Mass368.11
IUPAC Name2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccc(F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F4N2O2/c1-12(25)24(16-4-2-3-14(9-16)18(20,21)22)11-17(26)23-10-13-5-7-15(19)8-6-13/h2-9H,10-11H2,1H3,(H,23,26)
InChIKeyDYSXXRFVHJQHTC-UHFFFAOYSA-N
XLogP3.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide
CID 113175125
2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113177593
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide
CID 113130429
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide
CID 113175103
2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide
CID 113170925
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide
CID 113175232
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1143930
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 113175276
N-(4-acetylphenyl)-2-[N-acetyl-3-(trifluoromethyl)anilino]acetamide
CID 113175214
2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113178953
2-(N-acetyl-3-bromoanilino)-N-benzylacetamide
CID 113177894
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 113061443

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide (CID 113175132) is 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide is CC(=O)N(CC(=O)NCc1ccc(F)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is DYSXXRFVHJQHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O2/c1-12(25)24(16-4-2-3-14(9-16)18(20,21)22)11-17(26)23-10-13-5-7-15(19)8-6-13/h2-9H,10-11H2,1H3,(H,23,26).
What are the key properties of 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 368.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113175132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).