[2-(2,4-dichloroanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate

C17H16Cl2N2O5 — CID 9067545

IUPAC[2-(2,4-dichloroanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate
SMILESO=C(CCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)NCc1ccco1
InChIInChI=1S/C17H16Cl2N2O5/c18-11-3-4-14(13(19)8-11)21-16(23)10-26-17(24)6-5-15(22)20-9-12-2-1-7-25-12/h1-4,7-8H,5-6,9-10H2,(H,20,22)(H,21,23)
InChIKeyYVNGEDZANRSJEQ-UHFFFAOYSA-N
MW399.23 g/mol
LogP3.16
Rot. Bonds8

About [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate

[2-(2,4-dichloroanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate (PubChem CID 9067545) has the molecular formula C17H16Cl2N2O5 and a molecular weight of 399.23 g/mol. Its IUPAC name is [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(2,4-dichloroanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate
PubChem CID9067545
Molecular FormulaC17H16Cl2N2O5
Molecular Weight399.23 g/mol
Exact Mass398.04
IUPAC Name[2-(2,4-dichloroanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate
SMILESO=C(CCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)NCc1ccco1
InChIInChI=1S/C17H16Cl2N2O5/c18-11-3-4-14(13(19)8-11)21-16(23)10-26-17(24)6-5-15(22)20-9-12-2-1-7-25-12/h1-4,7-8H,5-6,9-10H2,(H,20,22)(H,21,23)
InChIKeyYVNGEDZANRSJEQ-UHFFFAOYSA-N
XLogP3.16
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate with MolForge

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Related Compounds

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate
CID 9067562
[2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
CID 9067618
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 2365239
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751603
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631551
[2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2343937
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 823383
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750749
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34658669
3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide
CID 113133857
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629968
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827212

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate?
The IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate (CID 9067545) is [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate.
What is the SMILES notation for [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate?
The canonical SMILES for [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate is O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)NCc1ccco1.
What is the InChIKey of [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate?
The InChIKey is YVNGEDZANRSJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O5/c18-11-3-4-14(13(19)8-11)21-16(23)10-26-17(24)6-5-15(22)20-9-12-2-1-7-25-12/h1-4,7-8H,5-6,9-10H2,(H,20,22)(H,21,23).
What are the key properties of [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate?
[2-(2,4-dichloroanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate has a molecular weight of 399.23 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichloroanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate is sourced from PubChem (CID 9067545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).