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

C19H17NO4 — CID 139932854

IUPACmethyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1=Cc2cc(C)ccc2OC1
InChIInChI=1S/C19H17NO4/c1-12-7-8-17-13(9-12)10-14(11-24-17)18(21)20-16-6-4-3-5-15(16)19(22)23-2/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeySJJAHIIDFRSIKD-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.20
Rot. Bonds3

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

methyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate (PubChem CID 139932854) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate
PubChem CID139932854
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namemethyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1=Cc2cc(C)ccc2OC1
InChIInChI=1S/C19H17NO4/c1-12-7-8-17-13(9-12)10-14(11-24-17)18(21)20-16-6-4-3-5-15(16)19(22)23-2/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeySJJAHIIDFRSIKD-UHFFFAOYSA-N
XLogP3.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2H-chromene-3-carbonylamino)benzoate
CID 7464984
methyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate
CID 139932940
methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate
CID 139932860
methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate
CID 16652219
N-(2-methoxy-5-methylphenyl)-2H-chromene-3-carboxamide
CID 17416535
6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide
CID 16652197
N-(3-methylphenyl)-2H-chromene-3-carboxamide
CID 7464936
N-(2,3-dimethylphenyl)-2H-chromene-3-carboxamide
CID 9042933
5,6-dimethyl-1H-indene-2-carboxylic acid;methyl 2-[(5,6-dimethyl-1H-indene-2-carbonyl)amino]benzoate
CID 159094125
N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide
CID 7465015
N-(2-fluorophenyl)-2H-chromene-3-carboxamide
CID 7464960
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate
CID 115659778

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate (CID 139932854) is methyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)C1=Cc2cc(C)ccc2OC1.
What is the InChIKey of methyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate?
The InChIKey is SJJAHIIDFRSIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12-7-8-17-13(9-12)10-14(11-24-17)18(21)20-16-6-4-3-5-15(16)19(22)23-2/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of methyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate?
methyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate has a molecular weight of 323.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate is sourced from PubChem (CID 139932854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).