3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide

C19H19F3N2O2 — CID 113130429

IUPAC3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O2/c1-14(25)24(17-9-5-8-16(12-17)19(20,21)22)11-10-18(26)23-13-15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3,(H,23,26)
InChIKeyFCTXNRHBPKCMID-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.76
Rot. Bonds6

About 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide

3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide (PubChem CID 113130429) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide.

Molecular Properties

Compound Name3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide
PubChem CID113130429
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O2/c1-14(25)24(17-9-5-8-16(12-17)19(20,21)22)11-10-18(26)23-13-15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3,(H,23,26)
InChIKeyFCTXNRHBPKCMID-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide
CID 113175125
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113130437
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide
CID 113061447
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 113061443
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 113130407
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113130421
3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide
CID 113131653
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113175132
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113061457
3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113132367
3-[N-acetyl-4-(diethylamino)anilino]-N-benzylpropanamide
CID 113131852
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide
CID 113130502

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide?
The IUPAC name of 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide (CID 113130429) is 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide.
What is the SMILES notation for 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide?
The canonical SMILES for 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide is CC(=O)N(CCC(=O)NCc1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide?
The InChIKey is FCTXNRHBPKCMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-14(25)24(17-9-5-8-16(12-17)19(20,21)22)11-10-18(26)23-13-15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3,(H,23,26).
What are the key properties of 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide?
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide has a molecular weight of 364.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide is sourced from PubChem (CID 113130429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).