3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide

C19H18ClF3N2O2 — CID 113130437

IUPAC3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18ClF3N2O2/c1-13(26)25(16-7-4-6-15(11-16)19(21,22)23)10-9-18(27)24-12-14-5-2-3-8-17(14)20/h2-8,11H,9-10,12H2,1H3,(H,24,27)
InChIKeyQQLKGVLTKGHLCR-UHFFFAOYSA-N
MW398.81 g/mol
LogP4.42
Rot. Bonds6

About 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide

3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 113130437) has the molecular formula C19H18ClF3N2O2 and a molecular weight of 398.81 g/mol. Its IUPAC name is 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID113130437
Molecular FormulaC19H18ClF3N2O2
Molecular Weight398.81 g/mol
Exact Mass398.10
IUPAC Name3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18ClF3N2O2/c1-13(26)25(16-7-4-6-15(11-16)19(21,22)23)10-9-18(27)24-12-14-5-2-3-8-17(14)20/h2-8,11H,9-10,12H2,1H3,(H,24,27)
InChIKeyQQLKGVLTKGHLCR-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide
CID 113130429
N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide
CID 113130651
3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113135356
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-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113130211
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113061457
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 113061443
3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113132364
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113133973
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide
CID 113061447
3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113125531

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide (CID 113130437) is 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccccc1Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is QQLKGVLTKGHLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O2/c1-13(26)25(16-7-4-6-15(11-16)19(21,22)23)10-9-18(27)24-12-14-5-2-3-8-17(14)20/h2-8,11H,9-10,12H2,1H3,(H,24,27).
What are the key properties of 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide?
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide has a molecular weight of 398.81 g/mol, XLogP of 4.42, 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-[(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 113130437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).