4-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid

C19H14N2O6 — CID 1163059

IUPAC4-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)cc1)/C(=C\c1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C19H14N2O6/c22-17(20-13-7-5-12(6-8-13)19(24)25)15(11-14-3-1-9-26-14)21-18(23)16-4-2-10-27-16/h1-11H,(H,20,22)(H,21,23)(H,24,25)/b15-11+
InChIKeyCGRBBPZQGXIYGS-RVDMUPIBSA-N
MW366.33 g/mol
LogP2.98
Rot. Bonds6

About 4-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid

4-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid (PubChem CID 1163059) has the molecular formula C19H14N2O6 and a molecular weight of 366.33 g/mol. Its IUPAC name is 4-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
PubChem CID1163059
Molecular FormulaC19H14N2O6
Molecular Weight366.33 g/mol
Exact Mass366.09
IUPAC Name4-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)cc1)/C(=C\c1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C19H14N2O6/c22-17(20-13-7-5-12(6-8-13)19(24)25)15(11-14-3-1-9-26-14)21-18(23)16-4-2-10-27-16/h1-11H,(H,20,22)(H,21,23)(H,24,25)/b15-11+
InChIKeyCGRBBPZQGXIYGS-RVDMUPIBSA-N
XLogP2.98
TPSA121.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid?
The IUPAC name of 4-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid (CID 1163059) is 4-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid?
The canonical SMILES for 4-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid is O=C(Nc1ccc(C(=O)O)cc1)/C(=C\c1ccco1)NC(=O)c1ccco1.
What is the InChIKey of 4-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid?
The InChIKey is CGRBBPZQGXIYGS-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H14N2O6/c22-17(20-13-7-5-12(6-8-13)19(24)25)15(11-14-3-1-9-26-14)21-18(23)16-4-2-10-27-16/h1-11H,(H,20,22)(H,21,23)(H,24,25)/b15-11+.
What are the key properties of 4-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid?
4-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid has a molecular weight of 366.33 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid is sourced from PubChem (CID 1163059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).