(2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide

C18H17ClF3NO2 — CID 100536953

IUPAC(2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC[C@@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17ClF3NO2/c1-2-15(25-16-9-4-3-8-14(16)19)17(24)23-11-12-6-5-7-13(10-12)18(20,21)22/h3-10,15H,2,11H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyYCASFAQZJOCWFB-OAHLLOKOSA-N
MW371.79 g/mol
LogP4.83
Rot. Bonds6

About (2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide

(2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 100536953) has the molecular formula C18H17ClF3NO2 and a molecular weight of 371.79 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID100536953
Molecular FormulaC18H17ClF3NO2
Molecular Weight371.79 g/mol
Exact Mass371.09
IUPAC Name(2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC[C@@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17ClF3NO2/c1-2-15(25-16-9-4-3-8-14(16)19)17(24)23-11-12-6-5-7-13(10-12)18(20,21)22/h3-10,15H,2,11H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyYCASFAQZJOCWFB-OAHLLOKOSA-N
XLogP4.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.79
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 92683061
(2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 94011805
2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 8871375
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chlorophenoxy)butanamide
CID 43907223
2-(1,3-benzodioxol-5-yloxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 45148354
2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide
CID 133239938
(2S)-2-(2-chlorophenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]butanamide
CID 28635319
(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015212
(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 94016511
2-(2-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 46767921
2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 43001904
(2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 26241557

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide (CID 100536953) is (2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide is CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is YCASFAQZJOCWFB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17ClF3NO2/c1-2-15(25-16-9-4-3-8-14(16)19)17(24)23-11-12-6-5-7-13(10-12)18(20,21)22/h3-10,15H,2,11H2,1H3,(H,23,24)/t15-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
(2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 371.79 g/mol, XLogP of 4.83, 6 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-[[3-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 100536953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).