3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide

C16H14ClF3N2O — CID 109037892

IUPAC3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNc1ccccc1Cl)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H14ClF3N2O/c17-12-6-2-4-8-14(12)21-10-9-15(23)22-13-7-3-1-5-11(13)16(18,19)20/h1-8,21H,9-10H2,(H,22,23)
InChIKeyFDYSMCYMHHCTBI-UHFFFAOYSA-N
MW342.75 g/mol
LogP4.80
Rot. Bonds5

About 3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide

3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 109037892) has the molecular formula C16H14ClF3N2O and a molecular weight of 342.75 g/mol. Its IUPAC name is 3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID109037892
Molecular FormulaC16H14ClF3N2O
Molecular Weight342.75 g/mol
Exact Mass342.07
IUPAC Name3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNc1ccccc1Cl)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H14ClF3N2O/c17-12-6-2-4-8-14(12)21-10-9-15(23)22-13-7-3-1-5-11(13)16(18,19)20/h1-8,21H,9-10H2,(H,22,23)
InChIKeyFDYSMCYMHHCTBI-UHFFFAOYSA-N
XLogP4.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109038453
3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
CID 109037305
3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109036048
3-(2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039806
N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109038626
3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039146
3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109021889
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide
CID 109037837
3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19220927
[2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2506879
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-fluorophenyl)propanamide
CID 109037505

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 109037892) is 3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide is O=C(CCNc1ccccc1Cl)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FDYSMCYMHHCTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O/c17-12-6-2-4-8-14(12)21-10-9-15(23)22-13-7-3-1-5-11(13)16(18,19)20/h1-8,21H,9-10H2,(H,22,23).
What are the key properties of 3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 342.75 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109037892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).