3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide

C19H18ClF3N2O2 — CID 113127626

IUPAC3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C(F)(F)F)c1cccc(Cl)c1C
InChIInChI=1S/C19H18ClF3N2O2/c1-12-15(20)7-5-9-17(12)25(13(2)26)11-10-18(27)24-16-8-4-3-6-14(16)19(21,22)23/h3-9H,10-11H2,1-2H3,(H,24,27)
InChIKeyHVAMHRVTOBYKLR-UHFFFAOYSA-N
MW398.81 g/mol
LogP5.05
Rot. Bonds5

About 3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide

3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 113127626) has the molecular formula C19H18ClF3N2O2 and a molecular weight of 398.81 g/mol. Its IUPAC name is 3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID113127626
Molecular FormulaC19H18ClF3N2O2
Molecular Weight398.81 g/mol
Exact Mass398.10
IUPAC Name3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C(F)(F)F)c1cccc(Cl)c1C
InChIInChI=1S/C19H18ClF3N2O2/c1-12-15(20)7-5-9-17(12)25(13(2)26)11-10-18(27)24-16-8-4-3-6-14(16)19(21,22)23/h3-9H,10-11H2,1-2H3,(H,24,27)
InChIKeyHVAMHRVTOBYKLR-UHFFFAOYSA-N
XLogP5.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.81
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113127924
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127609
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-fluorophenyl)propanamide
CID 113127603
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113127582
3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide
CID 113134341
3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide
CID 113127100
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)propanamide
CID 113130362
3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127656
3-(N-acetyl-2-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113126445
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113171767
3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113118316

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 113127626) is 3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C(F)(F)F)c1cccc(Cl)c1C.
What is the InChIKey of 3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HVAMHRVTOBYKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O2/c1-12-15(20)7-5-9-17(12)25(13(2)26)11-10-18(27)24-16-8-4-3-6-14(16)19(21,22)23/h3-9H,10-11H2,1-2H3,(H,24,27).
What are the key properties of 3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 398.81 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 113127626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).