(2R)-2-[[(3S)-3-(2-chloro-3,4-dimethoxyphenyl)-3-(4-chlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide

C26H28Cl2N2O3 — CID 69044499

IUPAC(2R)-2-[[(3S)-3-(2-chloro-3,4-dimethoxyphenyl)-3-(4-chlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@H](NCC[C@@H](c1ccc(Cl)cc1)c1ccc(OC)c(OC)c1Cl)c1ccccc1
InChIInChI=1S/C26H28Cl2N2O3/c1-29-26(31)24(18-7-5-4-6-8-18)30-16-15-20(17-9-11-19(27)12-10-17)21-13-14-22(32-2)25(33-3)23(21)28/h4-14,20,24,30H,15-16H2,1-3H3,(H,29,31)/t20-,24+/m0/s1
InChIKeyZGFSDQSISSUUGG-GBXCKJPGSA-N
MW487.43 g/mol
LogP5.61
Rot. Bonds10

About (2R)-2-[[(3S)-3-(2-chloro-3,4-dimethoxyphenyl)-3-(4-chlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide

(2R)-2-[[(3S)-3-(2-chloro-3,4-dimethoxyphenyl)-3-(4-chlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 69044499) has the molecular formula C26H28Cl2N2O3 and a molecular weight of 487.43 g/mol. Its IUPAC name is (2R)-2-[[(3S)-3-(2-chloro-3,4-dimethoxyphenyl)-3-(4-chlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(3S)-3-(2-chloro-3,4-dimethoxyphenyl)-3-(4-chlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide
PubChem CID69044499
Molecular FormulaC26H28Cl2N2O3
Molecular Weight487.43 g/mol
Exact Mass486.15
IUPAC Name(2R)-2-[[(3S)-3-(2-chloro-3,4-dimethoxyphenyl)-3-(4-chlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@H](NCC[C@@H](c1ccc(Cl)cc1)c1ccc(OC)c(OC)c1Cl)c1ccccc1
InChIInChI=1S/C26H28Cl2N2O3/c1-29-26(31)24(18-7-5-4-6-8-18)30-16-15-20(17-9-11-19(27)12-10-17)21-13-14-22(32-2)25(33-3)23(21)28/h4-14,20,24,30H,15-16H2,1-3H3,(H,29,31)/t20-,24+/m0/s1
InChIKeyZGFSDQSISSUUGG-GBXCKJPGSA-N
XLogP5.61
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.43
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 69041447
(2R)-2-[[(3S)-3-(5-chloro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide
CID 69045423
(2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 25095852
2-[[3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 68764746
(2R)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 59553549
(2R)-2-[[(3R)-3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69042231
(2R)-2-[[(3S)-3-(3,4-diethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69046035
(2R)-2-[[(3R)-3-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69043257
2,3-difluoro-6-methoxy-N-[2-(methylamino)-2-oxo-1-phenylethyl]benzamide
CID 91774325
(2R)-2-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69042344
(2S)-2-(4-chlorophenyl)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methylacetamide
CID 68765806
(2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8774164

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3S)-3-(2-chloro-3,4-dimethoxyphenyl)-3-(4-chlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(3S)-3-(2-chloro-3,4-dimethoxyphenyl)-3-(4-chlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide (CID 69044499) is (2R)-2-[[(3S)-3-(2-chloro-3,4-dimethoxyphenyl)-3-(4-chlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(3S)-3-(2-chloro-3,4-dimethoxyphenyl)-3-(4-chlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(3S)-3-(2-chloro-3,4-dimethoxyphenyl)-3-(4-chlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)[C@H](NCC[C@@H](c1ccc(Cl)cc1)c1ccc(OC)c(OC)c1Cl)c1ccccc1.
What is the InChIKey of (2R)-2-[[(3S)-3-(2-chloro-3,4-dimethoxyphenyl)-3-(4-chlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is ZGFSDQSISSUUGG-GBXCKJPGSA-N. The full InChI is InChI=1S/C26H28Cl2N2O3/c1-29-26(31)24(18-7-5-4-6-8-18)30-16-15-20(17-9-11-19(27)12-10-17)21-13-14-22(32-2)25(33-3)23(21)28/h4-14,20,24,30H,15-16H2,1-3H3,(H,29,31)/t20-,24+/m0/s1.
What are the key properties of (2R)-2-[[(3S)-3-(2-chloro-3,4-dimethoxyphenyl)-3-(4-chlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide?
(2R)-2-[[(3S)-3-(2-chloro-3,4-dimethoxyphenyl)-3-(4-chlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 487.43 g/mol, XLogP of 5.61, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3S)-3-(2-chloro-3,4-dimethoxyphenyl)-3-(4-chlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 69044499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).