methyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate

C20H16ClNO6 — CID 7954005

IUPACmethyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl
InChIInChI=1S/C20H16ClNO6/c1-11-7-19(24)28-16-9-17(14(21)8-13(11)16)27-10-18(23)22-15-6-4-3-5-12(15)20(25)26-2/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyUYWOJUUYBLDYPN-UHFFFAOYSA-N
MW401.80 g/mol
LogP3.56
Rot. Bonds5

About methyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate

methyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate (PubChem CID 7954005) has the molecular formula C20H16ClNO6 and a molecular weight of 401.80 g/mol. Its IUPAC name is methyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate
PubChem CID7954005
Molecular FormulaC20H16ClNO6
Molecular Weight401.80 g/mol
Exact Mass401.07
IUPAC Namemethyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl
InChIInChI=1S/C20H16ClNO6/c1-11-7-19(24)28-16-9-17(14(21)8-13(11)16)27-10-18(23)22-15-6-4-3-5-12(15)20(25)26-2/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyUYWOJUUYBLDYPN-UHFFFAOYSA-N
XLogP3.56
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.80
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate 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-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2-chloro-4-methylphenyl)acetamide
CID 4823620
methyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]benzoate
CID 4901833
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7954004
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 41350251
N-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7953931
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide
CID 4823145
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 782909
N-(2-chlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 728654
methyl 5-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]furan-2-carboxylate
CID 5124704
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7954012
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 41350294
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide
CID 4823481

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate (CID 7954005) is methyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl.
What is the InChIKey of methyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate?
The InChIKey is UYWOJUUYBLDYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO6/c1-11-7-19(24)28-16-9-17(14(21)8-13(11)16)27-10-18(23)22-15-6-4-3-5-12(15)20(25)26-2/h3-9H,10H2,1-2H3,(H,22,23).
What are the key properties of methyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate?
methyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate has a molecular weight of 401.80 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 7954005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).