(2R)-2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-2-phenylacetamide

C17H17F3N2O2 — CID 95297826

IUPAC(2R)-2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-2-phenylacetamide
SMILESCOc1ccc(CN[C@@H](C(N)=O)c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O2/c1-24-13-8-7-12(14(9-13)17(18,19)20)10-22-15(16(21)23)11-5-3-2-4-6-11/h2-9,15,22H,10H2,1H3,(H2,21,23)/t15-/m1/s1
InChIKeyXVTOCZILIQEIEO-OAHLLOKOSA-N
MW338.33 g/mol
LogP3.03
Rot. Bonds6

About (2R)-2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-2-phenylacetamide

(2R)-2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-2-phenylacetamide (PubChem CID 95297826) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is (2R)-2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-2-phenylacetamide
PubChem CID95297826
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name(2R)-2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-2-phenylacetamide
SMILESCOc1ccc(CN[C@@H](C(N)=O)c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O2/c1-24-13-8-7-12(14(9-13)17(18,19)20)10-22-15(16(21)23)11-5-3-2-4-6-11/h2-9,15,22H,10H2,1H3,(H2,21,23)/t15-/m1/s1
InChIKeyXVTOCZILIQEIEO-OAHLLOKOSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-2-(3-methoxyphenyl)acetamide
CID 10849658
2-[(2-methoxy-5-methylphenyl)methylamino]-2-phenylacetamide
CID 56811840
(2S)-2-amino-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 119313991
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 146089817
methyl (2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetate;hydrochloride
CID 171227758
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830
(2R)-2-[(2-ethoxyphenyl)methylamino]-2-phenylacetamide
CID 95582076
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
CID 163867885
(2S)-2-[(2-chlorophenyl)methylamino]-2-phenylacetamide
CID 33401995
2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 113268835
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid
CID 17052931
2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide
CID 71990803

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-2-phenylacetamide?
The IUPAC name of (2R)-2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-2-phenylacetamide (CID 95297826) is (2R)-2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-2-phenylacetamide is COc1ccc(CN[C@@H](C(N)=O)c2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-2-phenylacetamide?
The InChIKey is XVTOCZILIQEIEO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-24-13-8-7-12(14(9-13)17(18,19)20)10-22-15(16(21)23)11-5-3-2-4-6-11/h2-9,15,22H,10H2,1H3,(H2,21,23)/t15-/m1/s1.
What are the key properties of (2R)-2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-2-phenylacetamide?
(2R)-2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-2-phenylacetamide has a molecular weight of 338.33 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-2-phenylacetamide is sourced from PubChem (CID 95297826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).