methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate

C18H13Cl2NO4 — CID 16652219

IUPACmethyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C18H13Cl2NO4/c1-24-18(23)14-4-2-13(20)8-15(14)21-17(22)11-6-10-7-12(19)3-5-16(10)25-9-11/h2-8H,9H2,1H3,(H,21,22)
InChIKeyDAYAJJNPLIPOFO-UHFFFAOYSA-N
MW378.21 g/mol
LogP4.19
Rot. Bonds3

About methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate

methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate (PubChem CID 16652219) has the molecular formula C18H13Cl2NO4 and a molecular weight of 378.21 g/mol. Its IUPAC name is methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate
PubChem CID16652219
Molecular FormulaC18H13Cl2NO4
Molecular Weight378.21 g/mol
Exact Mass377.02
IUPAC Namemethyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C18H13Cl2NO4/c1-24-18(23)14-4-2-13(20)8-15(14)21-17(22)11-6-10-7-12(19)3-5-16(10)25-9-11/h2-8H,9H2,1H3,(H,21,22)
InChIKeyDAYAJJNPLIPOFO-UHFFFAOYSA-N
XLogP4.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate
CID 139932854
6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide
CID 24517965
6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide
CID 16652197
6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide
CID 60532279
methyl 2-(2H-chromene-3-carbonylamino)benzoate
CID 7464984
methyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate
CID 139932940
N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide
CID 7465015
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate
CID 139932860
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate (CID 16652219) is methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate is COC(=O)c1ccc(Cl)cc1NC(=O)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate?
The InChIKey is DAYAJJNPLIPOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO4/c1-24-18(23)14-4-2-13(20)8-15(14)21-17(22)11-6-10-7-12(19)3-5-16(10)25-9-11/h2-8H,9H2,1H3,(H,21,22).
What are the key properties of methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate?
methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate has a molecular weight of 378.21 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate is sourced from PubChem (CID 16652219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).