(2S)-2-cyclopentyl-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2-phenylacetamide

C27H26F3NO3 — CID 42544780

IUPAC(2S)-2-cyclopentyl-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2-phenylacetamide
SMILESCOc1ccccc1Oc1ccc(C(F)(F)F)cc1NC(=O)[C@H](c1ccccc1)C1CCCC1
InChIInChI=1S/C27H26F3NO3/c1-33-23-13-7-8-14-24(23)34-22-16-15-20(27(28,29)30)17-21(22)31-26(32)25(19-11-5-6-12-19)18-9-3-2-4-10-18/h2-4,7-10,13-17,19,25H,5-6,11-12H2,1H3,(H,31,32)/t25-/m1/s1
InChIKeyPUQMYJJCGJVJIG-RUZDIDTESA-N
MW469.50 g/mol
LogP7.42
Rot. Bonds7

About (2S)-2-cyclopentyl-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2-phenylacetamide

(2S)-2-cyclopentyl-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2-phenylacetamide (PubChem CID 42544780) has the molecular formula C27H26F3NO3 and a molecular weight of 469.50 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2-phenylacetamide
PubChem CID42544780
Molecular FormulaC27H26F3NO3
Molecular Weight469.50 g/mol
Exact Mass469.19
IUPAC Name(2S)-2-cyclopentyl-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2-phenylacetamide
SMILESCOc1ccccc1Oc1ccc(C(F)(F)F)cc1NC(=O)[C@H](c1ccccc1)C1CCCC1
InChIInChI=1S/C27H26F3NO3/c1-33-23-13-7-8-14-24(23)34-22-16-15-20(27(28,29)30)17-21(22)31-26(32)25(19-11-5-6-12-19)18-9-3-2-4-10-18/h2-4,7-10,13-17,19,25H,5-6,11-12H2,1H3,(H,31,32)/t25-/m1/s1
InChIKeyPUQMYJJCGJVJIG-RUZDIDTESA-N
XLogP7.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.50
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide
CID 2796967
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide
CID 54429996
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 70064539
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
3-[3-[[(2R)-2-cyclopentyl-2-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]acetyl]amino]-6-methoxy-2-methylphenyl]propanoic acid
CID 121417056
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide
CID 4556080
[(1S)-2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[2-(3,4-dimethoxyphenyl)ethyl]azanium
CID 2462430
N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 17389494
2-[2-[(4-bromophenyl)carbamoylamino]-4-(trifluoromethyl)phenoxy]benzoic acid
CID 15291672
[2-methoxy-5-(trifluoromethyl)phenyl]thiourea
CID 75176632
1-ethyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 54007816

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-cyclopentyl-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2-phenylacetamide (CID 42544780) is (2S)-2-cyclopentyl-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-cyclopentyl-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2-phenylacetamide is COc1ccccc1Oc1ccc(C(F)(F)F)cc1NC(=O)[C@H](c1ccccc1)C1CCCC1.
What is the InChIKey of (2S)-2-cyclopentyl-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2-phenylacetamide?
The InChIKey is PUQMYJJCGJVJIG-RUZDIDTESA-N. The full InChI is InChI=1S/C27H26F3NO3/c1-33-23-13-7-8-14-24(23)34-22-16-15-20(27(28,29)30)17-21(22)31-26(32)25(19-11-5-6-12-19)18-9-3-2-4-10-18/h2-4,7-10,13-17,19,25H,5-6,11-12H2,1H3,(H,31,32)/t25-/m1/s1.
What are the key properties of (2S)-2-cyclopentyl-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2-phenylacetamide?
(2S)-2-cyclopentyl-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2-phenylacetamide has a molecular weight of 469.50 g/mol, XLogP of 7.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 42544780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).