methyl 2-(2H-chromene-3-carbonylamino)benzoate

C18H15NO4 — CID 7464984

IUPACmethyl 2-(2H-chromene-3-carbonylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C18H15NO4/c1-22-18(21)14-7-3-4-8-15(14)19-17(20)13-10-12-6-2-5-9-16(12)23-11-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyIFPKJGDCDYJVFJ-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.89
Rot. Bonds3

About methyl 2-(2H-chromene-3-carbonylamino)benzoate

methyl 2-(2H-chromene-3-carbonylamino)benzoate (PubChem CID 7464984) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is methyl 2-(2H-chromene-3-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(2H-chromene-3-carbonylamino)benzoate
PubChem CID7464984
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Namemethyl 2-(2H-chromene-3-carbonylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C18H15NO4/c1-22-18(21)14-7-3-4-8-15(14)19-17(20)13-10-12-6-2-5-9-16(12)23-11-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyIFPKJGDCDYJVFJ-UHFFFAOYSA-N
XLogP2.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate
CID 139932940
methyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate
CID 139932854
methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate
CID 139932860
N-(2-fluorophenyl)-2H-chromene-3-carboxamide
CID 7464960
N-(2,3-dimethylphenyl)-2H-chromene-3-carboxamide
CID 9042933
N-(2-ethoxyphenyl)-2H-chromene-3-carboxamide
CID 7464979
N-[2-(prop-2-enylcarbamoyl)phenyl]-2H-chromene-3-carboxamide
CID 18090143
methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate
CID 16652219
N-methyl-2H-chromene-3-carboxamide
CID 13029267
N-(4-acetamidophenyl)-2H-chromene-3-carboxamide
CID 7465016
N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide
CID 17418033
N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide
CID 7465015

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2H-chromene-3-carbonylamino)benzoate?
The IUPAC name of methyl 2-(2H-chromene-3-carbonylamino)benzoate (CID 7464984) is methyl 2-(2H-chromene-3-carbonylamino)benzoate.
What is the SMILES notation for methyl 2-(2H-chromene-3-carbonylamino)benzoate?
The canonical SMILES for methyl 2-(2H-chromene-3-carbonylamino)benzoate is COC(=O)c1ccccc1NC(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of methyl 2-(2H-chromene-3-carbonylamino)benzoate?
The InChIKey is IFPKJGDCDYJVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-18(21)14-7-3-4-8-15(14)19-17(20)13-10-12-6-2-5-9-16(12)23-11-13/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of methyl 2-(2H-chromene-3-carbonylamino)benzoate?
methyl 2-(2H-chromene-3-carbonylamino)benzoate has a molecular weight of 309.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2H-chromene-3-carbonylamino)benzoate is sourced from PubChem (CID 7464984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).