(2R)-N-methyl-2-[[(3S)-3-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride

C26H28ClF3N2O — CID 69041206

IUPAC(2R)-N-methyl-2-[[(3S)-3-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride
SMILESCNC(=O)[C@H](NCC[C@@H](c1ccc(C(F)(F)F)cc1)c1cccc(C)c1)c1ccccc1.Cl
InChIInChI=1S/C26H27F3N2O.ClH/c1-18-7-6-10-21(17-18)23(19-11-13-22(14-12-19)26(27,28)29)15-16-31-24(25(32)30-2)20-8-4-3-5-9-20;/h3-14,17,23-24,31H,15-16H2,1-2H3,(H,30,32);1H/t23-,24+;/m0./s1
InChIKeyYIRZVZRPKXNOTR-KZDWWKKTSA-N
MW476.97 g/mol
LogP6.03
Rot. Bonds8

About (2R)-N-methyl-2-[[(3S)-3-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride

(2R)-N-methyl-2-[[(3S)-3-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride (PubChem CID 69041206) has the molecular formula C26H28ClF3N2O and a molecular weight of 476.97 g/mol. Its IUPAC name is (2R)-N-methyl-2-[[(3S)-3-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-methyl-2-[[(3S)-3-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride
PubChem CID69041206
Molecular FormulaC26H28ClF3N2O
Molecular Weight476.97 g/mol
Exact Mass476.18
IUPAC Name(2R)-N-methyl-2-[[(3S)-3-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride
SMILESCNC(=O)[C@H](NCC[C@@H](c1ccc(C(F)(F)F)cc1)c1cccc(C)c1)c1ccccc1.Cl
InChIInChI=1S/C26H27F3N2O.ClH/c1-18-7-6-10-21(17-18)23(19-11-13-22(14-12-19)26(27,28)29)15-16-31-24(25(32)30-2)20-8-4-3-5-9-20;/h3-14,17,23-24,31H,15-16H2,1-2H3,(H,30,32);1H/t23-,24+;/m0./s1
InChIKeyYIRZVZRPKXNOTR-KZDWWKKTSA-N
XLogP6.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.97
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69042344
(2R)-2-[[(3R)-3-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69043257
(2R)-2-[[(3S)-3-(3,4-diethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69046035
(2R)-2-[[(3S)-3-(2-fluoro-5-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide
CID 69040515
(2R)-2-[[(3S)-3-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69045330
(2R)-2-[[(3S)-3-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69043403
(2R)-2-[[(3S)-3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide
CID 69041237
(2R)-2-[[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 69041447
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 18544546
(2R)-2-[[(3R)-3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69042231
(2R)-N-methyl-2-[[(3S)-3-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide
CID 69040834
(2R)-N-methyl-2-[[1-(3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide
CID 162555657

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-[[(3S)-3-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride?
The IUPAC name of (2R)-N-methyl-2-[[(3S)-3-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride (CID 69041206) is (2R)-N-methyl-2-[[(3S)-3-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for (2R)-N-methyl-2-[[(3S)-3-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride?
The canonical SMILES for (2R)-N-methyl-2-[[(3S)-3-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride is CNC(=O)[C@H](NCC[C@@H](c1ccc(C(F)(F)F)cc1)c1cccc(C)c1)c1ccccc1.Cl.
What is the InChIKey of (2R)-N-methyl-2-[[(3S)-3-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride?
The InChIKey is YIRZVZRPKXNOTR-KZDWWKKTSA-N. The full InChI is InChI=1S/C26H27F3N2O.ClH/c1-18-7-6-10-21(17-18)23(19-11-13-22(14-12-19)26(27,28)29)15-16-31-24(25(32)30-2)20-8-4-3-5-9-20;/h3-14,17,23-24,31H,15-16H2,1-2H3,(H,30,32);1H/t23-,24+;/m0./s1.
What are the key properties of (2R)-N-methyl-2-[[(3S)-3-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride?
(2R)-N-methyl-2-[[(3S)-3-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride has a molecular weight of 476.97 g/mol, XLogP of 6.03, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-[[(3S)-3-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 69041206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).