2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide

C17H15ClF3NO2 — CID 3277013

IUPAC2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15ClF3NO2/c1-10-8-13(18)6-7-15(10)24-11(2)16(23)22-14-5-3-4-12(9-14)17(19,20)21/h3-9,11H,1-2H3,(H,22,23)
InChIKeyQOEGAISCFCVXOY-UHFFFAOYSA-N
MW357.76 g/mol
LogP5.07
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide

2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 3277013) has the molecular formula C17H15ClF3NO2 and a molecular weight of 357.76 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID3277013
Molecular FormulaC17H15ClF3NO2
Molecular Weight357.76 g/mol
Exact Mass357.07
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15ClF3NO2/c1-10-8-13(18)6-7-15(10)24-11(2)16(23)22-14-5-3-4-12(9-14)17(19,20)21/h3-9,11H,1-2H3,(H,22,23)
InChIKeyQOEGAISCFCVXOY-UHFFFAOYSA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.76
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1254376
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1009322
N-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 43079181
2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 2932686
(2R)-2-(2-methoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40745730
(2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 890062
ethyl 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoate
CID 2788090
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 3277013) is 2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is QOEGAISCFCVXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO2/c1-10-8-13(18)6-7-15(10)24-11(2)16(23)22-14-5-3-4-12(9-14)17(19,20)21/h3-9,11H,1-2H3,(H,22,23).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide?
2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 357.76 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 3277013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).