(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide

C16H12Cl2F3NO2 — CID 7720105

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H12Cl2F3NO2/c1-9(24-14-7-6-10(17)8-12(14)18)15(23)22-13-5-3-2-4-11(13)16(19,20)21/h2-9H,1H3,(H,22,23)/t9-/m0/s1
InChIKeyPXNKKAMENBUSPB-VIFPVBQESA-N
MW378.18 g/mol
LogP5.42
Rot. Bonds4

About (2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide

(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 7720105) has the molecular formula C16H12Cl2F3NO2 and a molecular weight of 378.18 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID7720105
Molecular FormulaC16H12Cl2F3NO2
Molecular Weight378.18 g/mol
Exact Mass377.02
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H12Cl2F3NO2/c1-9(24-14-7-6-10(17)8-12(14)18)15(23)22-13-5-3-2-4-11(13)16(19,20)21/h2-9H,1H3,(H,22,23)/t9-/m0/s1
InChIKeyPXNKKAMENBUSPB-VIFPVBQESA-N
XLogP5.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.18
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150
5-chloro-2-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]oxybenzamide
CID 38262201
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
2-(2,3-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633814
2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 24500719
2-[2-(2,4-dichlorophenoxy)propanoylamino]benzamide
CID 3579546
methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate
CID 2807434
2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide
CID 1335501
2-(2,4-dichlorophenoxy)-N-(3-fluoro-2-methylphenyl)propanamide
CID 2916938
2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 13052546
N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 134019274
(2R)-2-(2,4-dichlorophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 2110698

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 7720105) is (2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide is C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is PXNKKAMENBUSPB-VIFPVBQESA-N. The full InChI is InChI=1S/C16H12Cl2F3NO2/c1-9(24-14-7-6-10(17)8-12(14)18)15(23)22-13-5-3-2-4-11(13)16(19,20)21/h2-9H,1H3,(H,22,23)/t9-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 378.18 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 7720105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).