(2-oxo-1,2-diphenylethyl) 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate

C26H24ClNO4 — CID 3985169

IUPAC(2-oxo-1,2-diphenylethyl) 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
SMILESCC(C)C(NC(=O)c1ccccc1Cl)C(=O)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24ClNO4/c1-17(2)22(28-25(30)20-15-9-10-16-21(20)27)26(31)32-24(19-13-7-4-8-14-19)23(29)18-11-5-3-6-12-18/h3-17,22,24H,1-2H3,(H,28,30)
InChIKeyZPQKLYOBWSSOGQ-UHFFFAOYSA-N
MW449.93 g/mol
LogP5.26
Rot. Bonds8

About (2-oxo-1,2-diphenylethyl) 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate

(2-oxo-1,2-diphenylethyl) 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate (PubChem CID 3985169) has the molecular formula C26H24ClNO4 and a molecular weight of 449.93 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
PubChem CID3985169
Molecular FormulaC26H24ClNO4
Molecular Weight449.93 g/mol
Exact Mass449.14
IUPAC Name(2-oxo-1,2-diphenylethyl) 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
SMILESCC(C)C(NC(=O)c1ccccc1Cl)C(=O)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24ClNO4/c1-17(2)22(28-25(30)20-15-9-10-16-21(20)27)26(31)32-24(19-13-7-4-8-14-19)23(29)18-11-5-3-6-12-18/h3-17,22,24H,1-2H3,(H,28,30)
InChIKeyZPQKLYOBWSSOGQ-UHFFFAOYSA-N
XLogP5.26
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.93
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-oxo-1,2-diphenylethyl) 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate with MolForge

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Related Compounds

[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 16564499
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 4210643
[1-(4-chlorophenyl)-1-oxopropan-2-yl] (2S)-2-benzamido-3-methylbutanoate
CID 16564578
benzyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 7531702
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 7532100
(2-amino-2-oxo-1-phenylethyl) (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 16591675
(2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 1248820
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 7531958
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
(2-methoxy-2-oxo-1-phenylethyl) 2-chlorobenzoate
CID 177426397
2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
CID 74645893
2-chloro-N-[1-(3,3-diphenylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 4837433

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate (CID 3985169) is (2-oxo-1,2-diphenylethyl) 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate is CC(C)C(NC(=O)c1ccccc1Cl)C(=O)OC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate?
The InChIKey is ZPQKLYOBWSSOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClNO4/c1-17(2)22(28-25(30)20-15-9-10-16-21(20)27)26(31)32-24(19-13-7-4-8-14-19)23(29)18-11-5-3-6-12-18/h3-17,22,24H,1-2H3,(H,28,30).
What are the key properties of (2-oxo-1,2-diphenylethyl) 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate?
(2-oxo-1,2-diphenylethyl) 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate has a molecular weight of 449.93 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 3985169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).