[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

C25H21Cl2NO4 — CID 2427750

IUPAC[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCc1ccc(C(=O)[C@H](OC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H21Cl2NO4/c1-15-3-7-17(8-4-15)23(30)24(18-9-5-16(2)6-10-18)32-22(29)14-28-25(31)20-12-11-19(26)13-21(20)27/h3-13,24H,14H2,1-2H3,(H,28,31)/t24-/m1/s1
InChIKeyJMMGFOXSCYKRIL-XMMPIXPASA-N
MW470.35 g/mol
LogP5.51
Rot. Bonds7

About [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 2427750) has the molecular formula C25H21Cl2NO4 and a molecular weight of 470.35 g/mol. Its IUPAC name is [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID2427750
Molecular FormulaC25H21Cl2NO4
Molecular Weight470.35 g/mol
Exact Mass469.08
IUPAC Name[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCc1ccc(C(=O)[C@H](OC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H21Cl2NO4/c1-15-3-7-17(8-4-15)23(30)24(18-9-5-16(2)6-10-18)32-22(29)14-28-25(31)20-12-11-19(26)13-21(20)27/h3-13,24H,14H2,1-2H3,(H,28,31)/t24-/m1/s1
InChIKeyJMMGFOXSCYKRIL-XMMPIXPASA-N
XLogP5.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.35
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate with MolForge

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Related Compounds

[1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 3692292
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 4556950
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 16533898
[1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 46794783
[(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843849
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878798
[(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 7783066
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 2926086
[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 41020663
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 41330698
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate
CID 40579917
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880791

Frequently Asked Questions

What is the IUPAC name of [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 2427750) is [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is Cc1ccc(C(=O)[C@H](OC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c2ccc(C)cc2)cc1.
What is the InChIKey of [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is JMMGFOXSCYKRIL-XMMPIXPASA-N. The full InChI is InChI=1S/C25H21Cl2NO4/c1-15-3-7-17(8-4-15)23(30)24(18-9-5-16(2)6-10-18)32-22(29)14-28-25(31)20-12-11-19(26)13-21(20)27/h3-13,24H,14H2,1-2H3,(H,28,31)/t24-/m1/s1.
What are the key properties of [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 470.35 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 2427750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).