methyl 3-(furan-2-ylcarbamoylamino)benzoate

C13H12N2O4 — CID 108868628

IUPACmethyl 3-(furan-2-ylcarbamoylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)Nc2ccco2)c1
InChIInChI=1S/C13H12N2O4/c1-18-12(16)9-4-2-5-10(8-9)14-13(17)15-11-6-3-7-19-11/h2-8H,1H3,(H2,14,15,17)
InChIKeyBJDXFONTWKHXKF-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.71
Rot. Bonds3

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

methyl 3-(furan-2-ylcarbamoylamino)benzoate (PubChem CID 108868628) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is methyl 3-(furan-2-ylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-(furan-2-ylcarbamoylamino)benzoate
PubChem CID108868628
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Namemethyl 3-(furan-2-ylcarbamoylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)Nc2ccco2)c1
InChIInChI=1S/C13H12N2O4/c1-18-12(16)9-4-2-5-10(8-9)14-13(17)15-11-6-3-7-19-11/h2-8H,1H3,(H2,14,15,17)
InChIKeyBJDXFONTWKHXKF-UHFFFAOYSA-N
XLogP2.71
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-(furan-2-ylcarbamoylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-2-yl)-3-(3-methoxyphenyl)urea
CID 108868447
methyl 3-(furan-2-carbonylcarbamoylamino)benzoate
CID 2806361
methyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 39732859
methyl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 2303057
3-(furan-2-ylcarbamoylamino)benzenesulfonic acid
CID 108868322
methyl 3-[3-(furan-2-ylmethylamino)propanoylamino]benzoate
CID 109018697
methyl 3-(carbamoylamino)benzoate
CID 2822841
methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate
CID 43404884
methyl 3-[(2-iodophenyl)carbamoylamino]benzoate
CID 108869084
methyl 3-[1-(furan-2-yl)propylamino]benzoate
CID 62632863
methyl 3-[(2,2-difluoroacetyl)amino]benzoate
CID 103600805
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708

Frequently Asked Questions

What is the IUPAC name of methyl 3-(furan-2-ylcarbamoylamino)benzoate?
The IUPAC name of methyl 3-(furan-2-ylcarbamoylamino)benzoate (CID 108868628) is methyl 3-(furan-2-ylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 3-(furan-2-ylcarbamoylamino)benzoate?
The canonical SMILES for methyl 3-(furan-2-ylcarbamoylamino)benzoate is COC(=O)c1cccc(NC(=O)Nc2ccco2)c1.
What is the InChIKey of methyl 3-(furan-2-ylcarbamoylamino)benzoate?
The InChIKey is BJDXFONTWKHXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-18-12(16)9-4-2-5-10(8-9)14-13(17)15-11-6-3-7-19-11/h2-8H,1H3,(H2,14,15,17).
What are the key properties of methyl 3-(furan-2-ylcarbamoylamino)benzoate?
methyl 3-(furan-2-ylcarbamoylamino)benzoate has a molecular weight of 260.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(furan-2-ylcarbamoylamino)benzoate is sourced from PubChem (CID 108868628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).