ethyl 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate

C15H18Cl2N2O4 — CID 108573410

IUPACethyl 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCCNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H18Cl2N2O4/c1-2-23-14(21)6-5-13(20)18-7-8-19-15(22)11-9-10(16)3-4-12(11)17/h3-4,9H,2,5-8H2,1H3,(H,18,20)(H,19,22)
InChIKeyYATUFZWRFXGEOY-UHFFFAOYSA-N
MW361.23 g/mol
LogP2.18
Rot. Bonds8

About ethyl 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate

ethyl 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate (PubChem CID 108573410) has the molecular formula C15H18Cl2N2O4 and a molecular weight of 361.23 g/mol. Its IUPAC name is ethyl 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate
PubChem CID108573410
Molecular FormulaC15H18Cl2N2O4
Molecular Weight361.23 g/mol
Exact Mass360.06
IUPAC Nameethyl 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCCNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H18Cl2N2O4/c1-2-23-14(21)6-5-13(20)18-7-8-19-15(22)11-9-10(16)3-4-12(11)17/h3-4,9H,2,5-8H2,1H3,(H,18,20)(H,19,22)
InChIKeyYATUFZWRFXGEOY-UHFFFAOYSA-N
XLogP2.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(2,5-dichlorobenzoyl)amino]butanoate
CID 60637290
ethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate
CID 108573417
ethyl 4-[(5-chloro-2-methylbenzoyl)amino]butanoate
CID 113329829
ethyl 4-[2-[(2-fluorobenzoyl)amino]ethylamino]-4-oxobutanoate
CID 108570798
2,5-dichloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108540671
ethyl 4-[(5-chloro-2-hydroxybenzoyl)amino]butanoate
CID 60520407
ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
CID 91637595
ethyl 7-[(2-bromo-5-chlorobenzoyl)amino]heptanoate
CID 78901898
2,5-dichloro-N-[2-(methylamino)ethyl]benzamide
CID 62659102
2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108541813
ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 50851083
2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide
CID 108537980

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate (CID 108573410) is ethyl 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate is CCOC(=O)CCC(=O)NCCNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of ethyl 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate?
The InChIKey is YATUFZWRFXGEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O4/c1-2-23-14(21)6-5-13(20)18-7-8-19-15(22)11-9-10(16)3-4-12(11)17/h3-4,9H,2,5-8H2,1H3,(H,18,20)(H,19,22).
What are the key properties of ethyl 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate?
ethyl 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate has a molecular weight of 361.23 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate is sourced from PubChem (CID 108573410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).