(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)-2-phenylacetamide

C23H16ClF3N2O3 — CID 41155502

IUPAC(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)-2-phenylacetamide
SMILESCOc1cc(C#N)ccc1O[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1
InChIInChI=1S/C23H16ClF3N2O3/c1-31-20-11-14(13-28)7-10-19(20)32-21(15-5-3-2-4-6-15)22(30)29-18-12-16(23(25,26)27)8-9-17(18)24/h2-12,21H,1H3,(H,29,30)/t21-/m0/s1
InChIKeySJNXVPOIVKKDPM-NRFANRHFSA-N
MW460.84 g/mol
LogP6.00
Rot. Bonds6

About (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)-2-phenylacetamide

(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)-2-phenylacetamide (PubChem CID 41155502) has the molecular formula C23H16ClF3N2O3 and a molecular weight of 460.84 g/mol. Its IUPAC name is (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)-2-phenylacetamide
PubChem CID41155502
Molecular FormulaC23H16ClF3N2O3
Molecular Weight460.84 g/mol
Exact Mass460.08
IUPAC Name(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)-2-phenylacetamide
SMILESCOc1cc(C#N)ccc1O[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1
InChIInChI=1S/C23H16ClF3N2O3/c1-31-20-11-14(13-28)7-10-19(20)32-21(15-5-3-2-4-6-15)22(30)29-18-12-16(23(25,26)27)8-9-17(18)24/h2-12,21H,1H3,(H,29,30)/t21-/m0/s1
InChIKeySJNXVPOIVKKDPM-NRFANRHFSA-N
XLogP6.00
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.84
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 4-cyanobenzoate
CID 2355350
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 7252185
(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 8607165
[(1S)-2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[2-(3,4-dimethoxyphenyl)ethyl]azanium
CID 2462430
2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 4117637
[(1S)-2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 4-tert-butylbenzoate
CID 2392218
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 16511712
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide
CID 3259116
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 28632182
[(1R)-2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2,6-difluorobenzoate
CID 2367295
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 7757378
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] (2E,4E)-hexa-2,4-dienoate
CID 16525212

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)-2-phenylacetamide?
The IUPAC name of (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)-2-phenylacetamide (CID 41155502) is (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)-2-phenylacetamide?
The canonical SMILES for (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)-2-phenylacetamide is COc1cc(C#N)ccc1O[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1.
What is the InChIKey of (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)-2-phenylacetamide?
The InChIKey is SJNXVPOIVKKDPM-NRFANRHFSA-N. The full InChI is InChI=1S/C23H16ClF3N2O3/c1-31-20-11-14(13-28)7-10-19(20)32-21(15-5-3-2-4-6-15)22(30)29-18-12-16(23(25,26)27)8-9-17(18)24/h2-12,21H,1H3,(H,29,30)/t21-/m0/s1.
What are the key properties of (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)-2-phenylacetamide?
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)-2-phenylacetamide has a molecular weight of 460.84 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)-2-phenylacetamide is sourced from PubChem (CID 41155502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).