(2S)-2-(2-chloro-4-phenylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide

C21H15ClF3NO2 — CID 7653031

IUPAC(2S)-2-(2-chloro-4-phenylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide
SMILESC[C@H](Oc1ccc(-c2ccccc2)cc1Cl)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C21H15ClF3NO2/c1-12(21(27)26-17-9-8-16(23)19(24)20(17)25)28-18-10-7-14(11-15(18)22)13-5-3-2-4-6-13/h2-12H,1H3,(H,26,27)/t12-/m0/s1
InChIKeyHODPMQRESDWOIJ-LBPRGKRZSA-N
MW405.80 g/mol
LogP5.83
Rot. Bonds5

About (2S)-2-(2-chloro-4-phenylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide

(2S)-2-(2-chloro-4-phenylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 7653031) has the molecular formula C21H15ClF3NO2 and a molecular weight of 405.80 g/mol. Its IUPAC name is (2S)-2-(2-chloro-4-phenylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chloro-4-phenylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID7653031
Molecular FormulaC21H15ClF3NO2
Molecular Weight405.80 g/mol
Exact Mass405.07
IUPAC Name(2S)-2-(2-chloro-4-phenylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide
SMILESC[C@H](Oc1ccc(-c2ccccc2)cc1Cl)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C21H15ClF3NO2/c1-12(21(27)26-17-9-8-16(23)19(24)20(17)25)28-18-10-7-14(11-15(18)22)13-5-3-2-4-6-13/h2-12H,1H3,(H,26,27)/t12-/m0/s1
InChIKeyHODPMQRESDWOIJ-LBPRGKRZSA-N
XLogP5.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.80
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 2110698
(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide
CID 7550717
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide
CID 7550714
2-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697
(2R)-2-(2-chloro-4-phenylphenoxy)-N-(4-cyanophenyl)propanamide
CID 7561215
(2S)-2-(2-chloro-4-phenylphenoxy)-N-cyclopentylpropanamide
CID 7652970
(2R)-N-(2,4-dichlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815023
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate
CID 2807434
2-(2,4-dichlorophenoxy)-N-(3-fluoro-2-methylphenyl)propanamide
CID 2916938
(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7720105

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-4-phenylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of (2S)-2-(2-chloro-4-phenylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide (CID 7653031) is (2S)-2-(2-chloro-4-phenylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-chloro-4-phenylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(2-chloro-4-phenylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide is C[C@H](Oc1ccc(-c2ccccc2)cc1Cl)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of (2S)-2-(2-chloro-4-phenylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is HODPMQRESDWOIJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H15ClF3NO2/c1-12(21(27)26-17-9-8-16(23)19(24)20(17)25)28-18-10-7-14(11-15(18)22)13-5-3-2-4-6-13/h2-12H,1H3,(H,26,27)/t12-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-4-phenylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide?
(2S)-2-(2-chloro-4-phenylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 405.80 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-4-phenylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 7653031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).