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

C13H10ClNO4 — CID 34059859

IUPACmethyl 3-[(5-chlorofuran-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(Cl)o2)c1
InChIInChI=1S/C13H10ClNO4/c1-18-13(17)8-3-2-4-9(7-8)15-12(16)10-5-6-11(14)19-10/h2-7H,1H3,(H,15,16)
InChIKeyUCNFHXJDGOAAHF-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.97
Rot. Bonds3

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

methyl 3-[(5-chlorofuran-2-carbonyl)amino]benzoate (PubChem CID 34059859) has the molecular formula C13H10ClNO4 and a molecular weight of 279.68 g/mol. Its IUPAC name is methyl 3-[(5-chlorofuran-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(5-chlorofuran-2-carbonyl)amino]benzoate
PubChem CID34059859
Molecular FormulaC13H10ClNO4
Molecular Weight279.68 g/mol
Exact Mass279.03
IUPAC Namemethyl 3-[(5-chlorofuran-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(Cl)o2)c1
InChIInChI=1S/C13H10ClNO4/c1-18-13(17)8-3-2-4-9(7-8)15-12(16)10-5-6-11(14)19-10/h2-7H,1H3,(H,15,16)
InChIKeyUCNFHXJDGOAAHF-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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Related Compounds

methyl 3-[(4-methylfuran-2-carbonyl)amino]benzoate
CID 110861662
methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
CID 62958863
methyl 3-[[3-(chloromethyl)benzoyl]amino]benzoate
CID 43346811
5-chloro-N-[3-(sulfamoylamino)phenyl]furan-2-carboxamide
CID 60727989
methyl 3-(pyrazine-2-carbonylamino)benzoate
CID 862107
methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate
CID 65311803
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate
CID 103817046
methyl 3-(carbamoylamino)benzoate
CID 2822841
methyl 3-(pyrimidine-4-carbonylamino)benzoate
CID 110699213
methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate
CID 28748885
dimethyl 5-[[5-(4-bromophenyl)furan-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1323777
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-chlorofuran-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(5-chlorofuran-2-carbonyl)amino]benzoate (CID 34059859) is methyl 3-[(5-chlorofuran-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(5-chlorofuran-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(5-chlorofuran-2-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc(Cl)o2)c1.
What is the InChIKey of methyl 3-[(5-chlorofuran-2-carbonyl)amino]benzoate?
The InChIKey is UCNFHXJDGOAAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4/c1-18-13(17)8-3-2-4-9(7-8)15-12(16)10-5-6-11(14)19-10/h2-7H,1H3,(H,15,16).
What are the key properties of methyl 3-[(5-chlorofuran-2-carbonyl)amino]benzoate?
methyl 3-[(5-chlorofuran-2-carbonyl)amino]benzoate 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 3-[(5-chlorofuran-2-carbonyl)amino]benzoate is sourced from PubChem (CID 34059859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).