[2-(cyclopropylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

C14H14Cl2N2O4 — CID 2111234

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NC1CC1
InChIInChI=1S/C14H14Cl2N2O4/c15-8-1-4-10(11(16)5-8)14(21)17-6-13(20)22-7-12(19)18-9-2-3-9/h1,4-5,9H,2-3,6-7H2,(H,17,21)(H,18,19)
InChIKeyIWJDBVJYMXVUEW-UHFFFAOYSA-N
MW345.18 g/mol
LogP1.54
Rot. Bonds6

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

[2-(cyclopropylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 2111234) has the molecular formula C14H14Cl2N2O4 and a molecular weight of 345.18 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID2111234
Molecular FormulaC14H14Cl2N2O4
Molecular Weight345.18 g/mol
Exact Mass344.03
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NC1CC1
InChIInChI=1S/C14H14Cl2N2O4/c15-8-1-4-10(11(16)5-8)14(21)17-6-13(20)22-7-12(19)18-9-2-3-9/h1,4-5,9H,2-3,6-7H2,(H,17,21)(H,18,19)
InChIKeyIWJDBVJYMXVUEW-UHFFFAOYSA-N
XLogP1.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 2571604
N-(2,4-Dichlorobenzoyl)glycine
CID 731352
Glycine, N-(2-chlorobenzoyl)-, methyl ester
CID 531380
2,4-dichloro-N-[3-(morpholin-4-yl)propyl]benzamide
CID 2165284
[2-(Cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
CID 2407437
(2-Oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate
CID 3908649
[2-(Cycloheptylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 4782978
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 16240695
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 16243298
Benzamide, 2,4-dichloro-N-(2-(4-morpholinyl)ethyl)-
CID 2170880
2,4-dichloro-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide
CID 4791906
(2-Amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate
CID 2118289

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 2111234) is [2-(cyclopropylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is IWJDBVJYMXVUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O4/c15-8-1-4-10(11(16)5-8)14(21)17-6-13(20)22-7-12(19)18-9-2-3-9/h1,4-5,9H,2-3,6-7H2,(H,17,21)(H,18,19).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 345.18 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 2111234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).