(2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C17H15ClF3NO2 — CID 26241557

IUPAC(2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15ClF3NO2/c1-11(24-15-7-3-6-14(18)9-15)16(23)22-10-12-4-2-5-13(8-12)17(19,20)21/h2-9,11H,10H2,1H3,(H,22,23)/t11-/m0/s1
InChIKeyDDKXHJKNXQJUBJ-NSHDSACASA-N
MW357.76 g/mol
LogP4.44
Rot. Bonds5

About (2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

(2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 26241557) has the molecular formula C17H15ClF3NO2 and a molecular weight of 357.76 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID26241557
Molecular FormulaC17H15ClF3NO2
Molecular Weight357.76 g/mol
Exact Mass357.07
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15ClF3NO2/c1-11(24-15-7-3-6-14(18)9-15)16(23)22-10-12-4-2-5-13(8-12)17(19,20)21/h2-9,11H,10H2,1H3,(H,22,23)/t11-/m0/s1
InChIKeyDDKXHJKNXQJUBJ-NSHDSACASA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 43001904
(2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 100704874
2-(3-bromophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 45147940
2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
CID 55364329
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide
CID 9165332
N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide
CID 51332873
(2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 41261490
4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide
CID 46632597
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 894862
(2R)-2-(3-chlorophenoxy)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 93487462

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 26241557) is (2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is DDKXHJKNXQJUBJ-NSHDSACASA-N. The full InChI is InChI=1S/C17H15ClF3NO2/c1-11(24-15-7-3-6-14(18)9-15)16(23)22-10-12-4-2-5-13(8-12)17(19,20)21/h2-9,11H,10H2,1H3,(H,22,23)/t11-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
(2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 357.76 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 26241557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).