methyl 3-(furan-2-carbonylcarbamoylamino)benzoate

C14H12N2O5 — CID 2806361

IUPACmethyl 3-(furan-2-carbonylcarbamoylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)NC(=O)c2ccco2)c1
InChIInChI=1S/C14H12N2O5/c1-20-13(18)9-4-2-5-10(8-9)15-14(19)16-12(17)11-6-3-7-21-11/h2-8H,1H3,(H2,15,16,17,19)
InChIKeyWSVYFWCTYIAQQH-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.03
Rot. Bonds3

About methyl 3-(furan-2-carbonylcarbamoylamino)benzoate

methyl 3-(furan-2-carbonylcarbamoylamino)benzoate (PubChem CID 2806361) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is methyl 3-(furan-2-carbonylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-(furan-2-carbonylcarbamoylamino)benzoate
PubChem CID2806361
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Namemethyl 3-(furan-2-carbonylcarbamoylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)NC(=O)c2ccco2)c1
InChIInChI=1S/C14H12N2O5/c1-20-13(18)9-4-2-5-10(8-9)15-14(19)16-12(17)11-6-3-7-21-11/h2-8H,1H3,(H2,15,16,17,19)
InChIKeyWSVYFWCTYIAQQH-UHFFFAOYSA-N
XLogP2.03
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(furan-2-ylcarbamoylamino)benzoate
CID 108868628
methyl 3-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoate
CID 1371882
dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate
CID 711226
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
1-phenylethyl 3-(furan-2-carbonylamino)benzoate
CID 78793343
methyl 3-[(4-methylfuran-2-carbonyl)amino]benzoate
CID 110861662
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
methyl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 2303057
methyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate
CID 25335107
dimethyl 2-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 24621973
methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate
CID 3713909
N-[4-(3-acetylanilino)phenyl]furan-2-carboxamide
CID 112988117

Frequently Asked Questions

What is the IUPAC name of methyl 3-(furan-2-carbonylcarbamoylamino)benzoate?
The IUPAC name of methyl 3-(furan-2-carbonylcarbamoylamino)benzoate (CID 2806361) is methyl 3-(furan-2-carbonylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 3-(furan-2-carbonylcarbamoylamino)benzoate?
The canonical SMILES for methyl 3-(furan-2-carbonylcarbamoylamino)benzoate is COC(=O)c1cccc(NC(=O)NC(=O)c2ccco2)c1.
What is the InChIKey of methyl 3-(furan-2-carbonylcarbamoylamino)benzoate?
The InChIKey is WSVYFWCTYIAQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-20-13(18)9-4-2-5-10(8-9)15-14(19)16-12(17)11-6-3-7-21-11/h2-8H,1H3,(H2,15,16,17,19).
What are the key properties of methyl 3-(furan-2-carbonylcarbamoylamino)benzoate?
methyl 3-(furan-2-carbonylcarbamoylamino)benzoate has a molecular weight of 288.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(furan-2-carbonylcarbamoylamino)benzoate is sourced from PubChem (CID 2806361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).