methyl 5-[(3-chlorobenzoyl)amino]furan-2-carboxylate

C13H10ClNO4 — CID 2767878

IUPACmethyl 5-[(3-chlorobenzoyl)amino]furan-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)o1
InChIInChI=1S/C13H10ClNO4/c1-18-13(17)10-5-6-11(19-10)15-12(16)8-3-2-4-9(14)7-8/h2-7H,1H3,(H,15,16)
InChIKeyNQRLRRFOXNJEDK-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.97
Rot. Bonds3

About methyl 5-[(3-chlorobenzoyl)amino]furan-2-carboxylate

methyl 5-[(3-chlorobenzoyl)amino]furan-2-carboxylate (PubChem CID 2767878) has the molecular formula C13H10ClNO4 and a molecular weight of 279.68 g/mol. Its IUPAC name is methyl 5-[(3-chlorobenzoyl)amino]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3-chlorobenzoyl)amino]furan-2-carboxylate
PubChem CID2767878
Molecular FormulaC13H10ClNO4
Molecular Weight279.68 g/mol
Exact Mass279.03
IUPAC Namemethyl 5-[(3-chlorobenzoyl)amino]furan-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)o1
InChIInChI=1S/C13H10ClNO4/c1-18-13(17)10-5-6-11(19-10)15-12(16)8-3-2-4-9(14)7-8/h2-7H,1H3,(H,15,16)
InChIKeyNQRLRRFOXNJEDK-UHFFFAOYSA-N
XLogP2.97
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-chlorobenzoyl)amino]furan-2-carboxylate?
The IUPAC name of methyl 5-[(3-chlorobenzoyl)amino]furan-2-carboxylate (CID 2767878) is methyl 5-[(3-chlorobenzoyl)amino]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(3-chlorobenzoyl)amino]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(3-chlorobenzoyl)amino]furan-2-carboxylate is COC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)o1.
What is the InChIKey of methyl 5-[(3-chlorobenzoyl)amino]furan-2-carboxylate?
The InChIKey is NQRLRRFOXNJEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4/c1-18-13(17)10-5-6-11(19-10)15-12(16)8-3-2-4-9(14)7-8/h2-7H,1H3,(H,15,16).
What are the key properties of methyl 5-[(3-chlorobenzoyl)amino]furan-2-carboxylate?
methyl 5-[(3-chlorobenzoyl)amino]furan-2-carboxylate has a molecular weight of 279.68 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-chlorobenzoyl)amino]furan-2-carboxylate is sourced from PubChem (CID 2767878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).