[2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate

C20H16ClNO5 — CID 8876580

IUPAC[2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
SMILESCc1ccc(C)c(NC(=O)COC(=O)c2cc(=O)c3cc(Cl)ccc3o2)c1
InChIInChI=1S/C20H16ClNO5/c1-11-3-4-12(2)15(7-11)22-19(24)10-26-20(25)18-9-16(23)14-8-13(21)5-6-17(14)27-18/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyUELSOACCIDQZCR-UHFFFAOYSA-N
MW385.80 g/mol
LogP3.86
Rot. Bonds4

About [2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate

[2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate (PubChem CID 8876580) has the molecular formula C20H16ClNO5 and a molecular weight of 385.80 g/mol. Its IUPAC name is [2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
PubChem CID8876580
Molecular FormulaC20H16ClNO5
Molecular Weight385.80 g/mol
Exact Mass385.07
IUPAC Name[2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
SMILESCc1ccc(C)c(NC(=O)COC(=O)c2cc(=O)c3cc(Cl)ccc3o2)c1
InChIInChI=1S/C20H16ClNO5/c1-11-3-4-12(2)15(7-11)22-19(24)10-26-20(25)18-9-16(23)14-8-13(21)5-6-17(14)27-18/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyUELSOACCIDQZCR-UHFFFAOYSA-N
XLogP3.86
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8728915
[2-(2,6-difluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8728811
[2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8728814
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8876830
N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605544
[2-(2,5-dimethylanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 7366056
[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 6-chloro-4-oxochromene-2-carboxylate
CID 9310221
[2-(butylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729302
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-methylbenzoate
CID 956324
[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877430
[2-(4-cyanoanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8728970
[2-(ethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729510

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate?
The IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate (CID 8876580) is [2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate?
The canonical SMILES for [2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate is Cc1ccc(C)c(NC(=O)COC(=O)c2cc(=O)c3cc(Cl)ccc3o2)c1.
What is the InChIKey of [2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate?
The InChIKey is UELSOACCIDQZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO5/c1-11-3-4-12(2)15(7-11)22-19(24)10-26-20(25)18-9-16(23)14-8-13(21)5-6-17(14)27-18/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of [2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate?
[2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate has a molecular weight of 385.80 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate is sourced from PubChem (CID 8876580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).