(2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide

C24H23Cl3N2O — CID 68768293

IUPAC(2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@@H](N[C@H](CCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C24H23Cl3N2O/c1-28-24(30)23(17-5-3-2-4-6-17)29-22(20-13-12-19(26)15-21(20)27)14-9-16-7-10-18(25)11-8-16/h2-8,10-13,15,22-23,29H,9,14H2,1H3,(H,28,30)/t22-,23+/m1/s1
InChIKeyNCIYQWRCXPKURX-PKTZIBPZSA-N
MW461.82 g/mol
LogP6.40
Rot. Bonds8

About (2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide

(2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 68768293) has the molecular formula C24H23Cl3N2O and a molecular weight of 461.82 g/mol. Its IUPAC name is (2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide
PubChem CID68768293
Molecular FormulaC24H23Cl3N2O
Molecular Weight461.82 g/mol
Exact Mass460.09
IUPAC Name(2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@@H](N[C@H](CCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C24H23Cl3N2O/c1-28-24(30)23(17-5-3-2-4-6-17)29-22(20-13-12-19(26)15-21(20)27)14-9-16-7-10-18(25)11-8-16/h2-8,10-13,15,22-23,29H,9,14H2,1H3,(H,28,30)/t22-,23+/m1/s1
InChIKeyNCIYQWRCXPKURX-PKTZIBPZSA-N
XLogP6.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.82
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide with MolForge

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Related Compounds

(2R)-2-[[(1R)-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 59553802
(2R)-2-[[(1R)-1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68766674
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
(2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 25095852
(2S)-2-[[(1R)-1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68769278
(2R)-2-[[1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 162541004
2-[[(1S)-1-(3-chloro-4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68767356
2-[[1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68763476
(2S)-2-[[(1S)-1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68769293
(2S)-2-(4-chlorophenyl)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methylacetamide
CID 68765806
(2R)-2-[[3-(4-chlorophenyl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-2-phenylacetamide
CID 71111986

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of (2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide (CID 68768293) is (2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)[C@@H](N[C@H](CCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of (2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is NCIYQWRCXPKURX-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H23Cl3N2O/c1-28-24(30)23(17-5-3-2-4-6-17)29-22(20-13-12-19(26)15-21(20)27)14-9-16-7-10-18(25)11-8-16/h2-8,10-13,15,22-23,29H,9,14H2,1H3,(H,28,30)/t22-,23+/m1/s1.
What are the key properties of (2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide?
(2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 461.82 g/mol, XLogP of 6.40, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 68768293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).