3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide

C17H16ClF3N2O2 — CID 109039146

IUPAC3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H16ClF3N2O2/c1-25-15-7-6-11(18)10-14(15)22-9-8-16(24)23-13-5-3-2-4-12(13)17(19,20)21/h2-7,10,22H,8-9H2,1H3,(H,23,24)
InChIKeyGYFBHWBHRIKTPA-UHFFFAOYSA-N
MW372.77 g/mol
LogP4.81
Rot. Bonds6

About 3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide

3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 109039146) has the molecular formula C17H16ClF3N2O2 and a molecular weight of 372.77 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID109039146
Molecular FormulaC17H16ClF3N2O2
Molecular Weight372.77 g/mol
Exact Mass372.09
IUPAC Name3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H16ClF3N2O2/c1-25-15-7-6-11(18)10-14(15)22-9-8-16(24)23-13-5-3-2-4-12(13)17(19,20)21/h2-7,10,22H,8-9H2,1H3,(H,23,24)
InChIKeyGYFBHWBHRIKTPA-UHFFFAOYSA-N
XLogP4.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109038453
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109039100
3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179
N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109039094
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109037265
3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109037892
3-(2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039806
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 109039146) is 3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide is COc1ccc(Cl)cc1NCCC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is GYFBHWBHRIKTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2/c1-25-15-7-6-11(18)10-14(15)22-9-8-16(24)23-13-5-3-2-4-12(13)17(19,20)21/h2-7,10,22H,8-9H2,1H3,(H,23,24).
What are the key properties of 3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 372.77 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109039146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).