ethyl 3-(furan-3-carbonylamino)benzoate

C14H13NO4 — CID 34142354

IUPACethyl 3-(furan-3-carbonylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccoc2)c1
InChIInChI=1S/C14H13NO4/c1-2-19-14(17)10-4-3-5-12(8-10)15-13(16)11-6-7-18-9-11/h3-9H,2H2,1H3,(H,15,16)
InChIKeySSWVERSPZNSOCC-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.71
Rot. Bonds4

About ethyl 3-(furan-3-carbonylamino)benzoate

ethyl 3-(furan-3-carbonylamino)benzoate (PubChem CID 34142354) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is ethyl 3-(furan-3-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(furan-3-carbonylamino)benzoate
PubChem CID34142354
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Nameethyl 3-(furan-3-carbonylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccoc2)c1
InChIInChI=1S/C14H13NO4/c1-2-19-14(17)10-4-3-5-12(8-10)15-13(16)11-6-7-18-9-11/h3-9H,2H2,1H3,(H,15,16)
InChIKeySSWVERSPZNSOCC-UHFFFAOYSA-N
XLogP2.71
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429
N-(3-methylphenyl)furan-3-carboxamide
CID 27007768
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 883989
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
ethyl 3-[(4-propan-2-ylbenzoyl)amino]benzoate
CID 1406449
N-(3-aminophenyl)furan-3-carboxamide
CID 16774426
ethyl 3-[(5-iodothiophene-3-carbonyl)amino]benzoate
CID 78949117
ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate
CID 5194656
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate
CID 18102829
ethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46604295
N-[3-(diethylamino)phenyl]furan-3-carboxamide
CID 124926206

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(furan-3-carbonylamino)benzoate?
The IUPAC name of ethyl 3-(furan-3-carbonylamino)benzoate (CID 34142354) is ethyl 3-(furan-3-carbonylamino)benzoate.
What is the SMILES notation for ethyl 3-(furan-3-carbonylamino)benzoate?
The canonical SMILES for ethyl 3-(furan-3-carbonylamino)benzoate is CCOC(=O)c1cccc(NC(=O)c2ccoc2)c1.
What is the InChIKey of ethyl 3-(furan-3-carbonylamino)benzoate?
The InChIKey is SSWVERSPZNSOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-2-19-14(17)10-4-3-5-12(8-10)15-13(16)11-6-7-18-9-11/h3-9H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 3-(furan-3-carbonylamino)benzoate?
ethyl 3-(furan-3-carbonylamino)benzoate has a molecular weight of 259.26 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(furan-3-carbonylamino)benzoate is sourced from PubChem (CID 34142354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).