(7-acetamido-2-oxochromen-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate

C21H16Cl2N2O6 — CID 46789290

IUPAC(7-acetamido-2-oxochromen-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCC(=O)Nc1ccc2c(COC(=O)CNC(=O)c3ccc(Cl)cc3Cl)cc(=O)oc2c1
InChIInChI=1S/C21H16Cl2N2O6/c1-11(26)25-14-3-5-15-12(6-19(27)31-18(15)8-14)10-30-20(28)9-24-21(29)16-4-2-13(22)7-17(16)23/h2-8H,9-10H2,1H3,(H,24,29)(H,25,26)
InChIKeyYWRWLQKHMPUDBW-UHFFFAOYSA-N
MW463.27 g/mol
LogP3.53
Rot. Bonds6

About (7-acetamido-2-oxochromen-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate

(7-acetamido-2-oxochromen-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 46789290) has the molecular formula C21H16Cl2N2O6 and a molecular weight of 463.27 g/mol. Its IUPAC name is (7-acetamido-2-oxochromen-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(7-acetamido-2-oxochromen-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID46789290
Molecular FormulaC21H16Cl2N2O6
Molecular Weight463.27 g/mol
Exact Mass462.04
IUPAC Name(7-acetamido-2-oxochromen-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCC(=O)Nc1ccc2c(COC(=O)CNC(=O)c3ccc(Cl)cc3Cl)cc(=O)oc2c1
InChIInChI=1S/C21H16Cl2N2O6/c1-11(26)25-14-3-5-15-12(6-19(27)31-18(15)8-14)10-30-20(28)9-24-21(29)16-4-2-13(22)7-17(16)23/h2-8H,9-10H2,1H3,(H,24,29)(H,25,26)
InChIKeyYWRWLQKHMPUDBW-UHFFFAOYSA-N
XLogP3.53
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.27
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (7-acetamido-2-oxochromen-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate 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

(7-acetamido-2-oxochromen-4-yl)methyl 3,4-difluorobenzoate
CID 46816359
(2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate
CID 1218600
(7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 18076997
(7-acetamido-2-oxochromen-4-yl)methyl 4-tert-butylbenzoate
CID 46790353
(7-acetamido-2-oxochromen-4-yl)methyl 5-sulfamoylfuran-2-carboxylate
CID 55643841
(7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate
CID 16506936
(7-acetamido-2-oxochromen-4-yl)methyl 3-phenothiazin-10-ylpropanoate
CID 2483720
(7-hydroxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenyl)acetate
CID 7951138
2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843867
(7-acetamido-2-oxochromen-4-yl)methyl 2-bromo-5-fluorobenzoate
CID 16565840
(7-acetamido-2-oxochromen-4-yl)methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate
CID 42928948
(7-acetamido-2-oxochromen-4-yl)methyl 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate
CID 16570815

Frequently Asked Questions

What is the IUPAC name of (7-acetamido-2-oxochromen-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of (7-acetamido-2-oxochromen-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 46789290) is (7-acetamido-2-oxochromen-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for (7-acetamido-2-oxochromen-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for (7-acetamido-2-oxochromen-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate is CC(=O)Nc1ccc2c(COC(=O)CNC(=O)c3ccc(Cl)cc3Cl)cc(=O)oc2c1.
What is the InChIKey of (7-acetamido-2-oxochromen-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is YWRWLQKHMPUDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O6/c1-11(26)25-14-3-5-15-12(6-19(27)31-18(15)8-14)10-30-20(28)9-24-21(29)16-4-2-13(22)7-17(16)23/h2-8H,9-10H2,1H3,(H,24,29)(H,25,26).
What are the key properties of (7-acetamido-2-oxochromen-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
(7-acetamido-2-oxochromen-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 463.27 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-acetamido-2-oxochromen-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 46789290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).