(2-oxocyclohexyl) 2-[(2,4-dichlorobenzoyl)amino]acetate

C15H15Cl2NO4 — CID 4036447

IUPAC(2-oxocyclohexyl) 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)OC1CCCCC1=O
InChIInChI=1S/C15H15Cl2NO4/c16-9-5-6-10(11(17)7-9)15(21)18-8-14(20)22-13-4-2-1-3-12(13)19/h5-7,13H,1-4,8H2,(H,18,21)
InChIKeyBVKBPWDYJNTEAC-UHFFFAOYSA-N
MW344.19 g/mol
LogP2.78
Rot. Bonds4

About (2-oxocyclohexyl) 2-[(2,4-dichlorobenzoyl)amino]acetate

(2-oxocyclohexyl) 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 4036447) has the molecular formula C15H15Cl2NO4 and a molecular weight of 344.19 g/mol. Its IUPAC name is (2-oxocyclohexyl) 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-oxocyclohexyl) 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID4036447
Molecular FormulaC15H15Cl2NO4
Molecular Weight344.19 g/mol
Exact Mass343.04
IUPAC Name(2-oxocyclohexyl) 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)OC1CCCCC1=O
InChIInChI=1S/C15H15Cl2NO4/c16-9-5-6-10(11(17)7-9)15(21)18-8-14(20)22-13-4-2-1-3-12(13)19/h5-7,13H,1-4,8H2,(H,18,21)
InChIKeyBVKBPWDYJNTEAC-UHFFFAOYSA-N
XLogP2.78
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-Dichlorobenzoyl)glycine
CID 731352
Glycine, N-(2-chlorobenzoyl)-, methyl ester
CID 531380
2-(2-Chlorophenyl)-2-oxoethyl (benzoylamino)acetate
CID 1615618
[2-(Cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
CID 2407437
(2-Oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate
CID 3908649
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 16240695
2-(2-chlorophenyl)-2-oxoethyl N-(phenylacetyl)glycinate
CID 1619325
(2-Amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate
CID 2118289
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 2435045
[1-[Benzyl(methyl)amino]-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 24817983
(2-Oxocyclohexyl) 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 24979508
[2-(Cyclooctylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 24981562

Frequently Asked Questions

What is the IUPAC name of (2-oxocyclohexyl) 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of (2-oxocyclohexyl) 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 4036447) is (2-oxocyclohexyl) 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for (2-oxocyclohexyl) 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for (2-oxocyclohexyl) 2-[(2,4-dichlorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Cl)cc1Cl)OC1CCCCC1=O.
What is the InChIKey of (2-oxocyclohexyl) 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is BVKBPWDYJNTEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO4/c16-9-5-6-10(11(17)7-9)15(21)18-8-14(20)22-13-4-2-1-3-12(13)19/h5-7,13H,1-4,8H2,(H,18,21).
What are the key properties of (2-oxocyclohexyl) 2-[(2,4-dichlorobenzoyl)amino]acetate?
(2-oxocyclohexyl) 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 344.19 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxocyclohexyl) 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 4036447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).