N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide

C17H14ClF4NO2 — CID 46772392

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H14ClF4NO2/c1-2-15(25-12-6-4-11(19)5-7-12)16(24)23-14-9-10(17(20,21)22)3-8-13(14)18/h3-9,15H,2H2,1H3,(H,23,24)
InChIKeyVSFKOWKDXVCIID-UHFFFAOYSA-N
MW375.75 g/mol
LogP5.29
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide (PubChem CID 46772392) has the molecular formula C17H14ClF4NO2 and a molecular weight of 375.75 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide
PubChem CID46772392
Molecular FormulaC17H14ClF4NO2
Molecular Weight375.75 g/mol
Exact Mass375.06
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H14ClF4NO2/c1-2-15(25-12-6-4-11(19)5-7-12)16(24)23-14-9-10(17(20,21)22)3-8-13(14)18/h3-9,15H,2H2,1H3,(H,23,24)
InChIKeyVSFKOWKDXVCIID-UHFFFAOYSA-N
XLogP5.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.75
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide
CID 28565176
(2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 94011805
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133160336
N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 46771035
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
CID 94020173
(2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 28578484
(2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 94020016
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019991
(2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082552
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide
CID 3259116
2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide
CID 53288921
N-(2,5-dichlorophenyl)-2-phenoxybutanamide
CID 2886435

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide (CID 46772392) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide is CCC(Oc1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide?
The InChIKey is VSFKOWKDXVCIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF4NO2/c1-2-15(25-12-6-4-11(19)5-7-12)16(24)23-14-9-10(17(20,21)22)3-8-13(14)18/h3-9,15H,2H2,1H3,(H,23,24).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide has a molecular weight of 375.75 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 46772392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).