methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate

C14H12ClNO4 — CID 106685894

IUPACmethyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)c1ccoc1Cl
InChIInChI=1S/C14H12ClNO4/c1-8-3-4-11(10(7-8)14(18)19-2)16-13(17)9-5-6-20-12(9)15/h3-7H,1-2H3,(H,16,17)
InChIKeyVQQDOALKHRGPTJ-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.28
Rot. Bonds3

About methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate

methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate (PubChem CID 106685894) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate
PubChem CID106685894
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Namemethyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)c1ccoc1Cl
InChIInChI=1S/C14H12ClNO4/c1-8-3-4-11(10(7-8)14(18)19-2)16-13(17)9-5-6-20-12(9)15/h3-7H,1-2H3,(H,16,17)
InChIKeyVQQDOALKHRGPTJ-UHFFFAOYSA-N
XLogP3.28
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate?
The IUPAC name of methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate (CID 106685894) is methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate.
What is the SMILES notation for methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate?
The canonical SMILES for methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate is COC(=O)c1cc(C)ccc1NC(=O)c1ccoc1Cl.
What is the InChIKey of methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate?
The InChIKey is VQQDOALKHRGPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-8-3-4-11(10(7-8)14(18)19-2)16-13(17)9-5-6-20-12(9)15/h3-7H,1-2H3,(H,16,17).
What are the key properties of methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate?
methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate has a molecular weight of 293.71 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate is sourced from PubChem (CID 106685894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).