(2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide

C17H14Cl2F3NO2 — CID 94011805

IUPAC(2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
SMILESCC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H14Cl2F3NO2/c1-2-14(25-15-6-4-3-5-12(15)19)16(24)23-13-9-10(17(20,21)22)7-8-11(13)18/h3-9,14H,2H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyRDOHNYBADLDDQC-CQSZACIVSA-N
MW392.20 g/mol
LogP5.81
Rot. Bonds5

About (2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide

(2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide (PubChem CID 94011805) has the molecular formula C17H14Cl2F3NO2 and a molecular weight of 392.20 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
PubChem CID94011805
Molecular FormulaC17H14Cl2F3NO2
Molecular Weight392.20 g/mol
Exact Mass391.04
IUPAC Name(2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
SMILESCC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H14Cl2F3NO2/c1-2-14(25-15-6-4-3-5-12(15)19)16(24)23-13-9-10(17(20,21)22)7-8-11(13)18/h3-9,14H,2H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyRDOHNYBADLDDQC-CQSZACIVSA-N
XLogP5.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.20
LogP ≤ 55.81
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
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide
CID 46772392
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
CID 94020173
(2R)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573433
(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573436
(2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100536953
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303067
2-(2-chlorophenoxy)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53284308
(2R)-2-(2-chlorophenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 30396975
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133160336
(2S)-2-(2-chlorophenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]butanamide
CID 28635319
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)butanamide
CID 30384530

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide (CID 94011805) is (2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide is CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide?
The InChIKey is RDOHNYBADLDDQC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14Cl2F3NO2/c1-2-14(25-15-6-4-3-5-12(15)19)16(24)23-13-9-10(17(20,21)22)7-8-11(13)18/h3-9,14H,2H2,1H3,(H,23,24)/t14-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide?
(2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide has a molecular weight of 392.20 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 94011805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).