2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid

C20H15ClN2O4 — CID 76823927

IUPAC2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid
SMILESNc1cccc(C(=O)NC(=Cc2ccc(-c3ccccc3Cl)o2)C(=O)O)c1
InChIInChI=1S/C20H15ClN2O4/c21-16-7-2-1-6-15(16)18-9-8-14(27-18)11-17(20(25)26)23-19(24)12-4-3-5-13(22)10-12/h1-11H,22H2,(H,23,24)(H,25,26)
InChIKeyUGNWAQLXWYNNIG-UHFFFAOYSA-N
MW382.80 g/mol
LogP4.04
Rot. Bonds5

About 2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid

2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid (PubChem CID 76823927) has the molecular formula C20H15ClN2O4 and a molecular weight of 382.80 g/mol. Its IUPAC name is 2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid
PubChem CID76823927
Molecular FormulaC20H15ClN2O4
Molecular Weight382.80 g/mol
Exact Mass382.07
IUPAC Name2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid
SMILESNc1cccc(C(=O)NC(=Cc2ccc(-c3ccccc3Cl)o2)C(=O)O)c1
InChIInChI=1S/C20H15ClN2O4/c21-16-7-2-1-6-15(16)18-9-8-14(27-18)11-17(20(25)26)23-19(24)12-4-3-5-13(22)10-12/h1-11H,22H2,(H,23,24)(H,25,26)
InChIKeyUGNWAQLXWYNNIG-UHFFFAOYSA-N
XLogP4.04
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.80
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid 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

2-acetamido-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid
CID 4768027
N-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 2873775
(Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid
CID 6480681
(E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148090
N-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide
CID 2873599
(E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148076
N-[(E)-3-(benzylamino)-1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide
CID 6241436
N-(3-aminobenzoyl)-2-chlorobenzamide
CID 91252529
3-[5-(2,6-dichlorophenyl)furan-2-yl]-2-(furan-2-carbonylamino)prop-2-enoic acid
CID 4889065
2-(2-chlorophenyl)-5-[(E)-2-methoxy-2-phenylethenyl]furan
CID 1483073
(Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid
CID 58631623
(E)-2-benzamido-3-[4-(2-chlorophenyl)phenyl]prop-2-enoic acid
CID 22148158

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid?
The IUPAC name of 2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid (CID 76823927) is 2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid.
What is the SMILES notation for 2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid?
The canonical SMILES for 2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid is Nc1cccc(C(=O)NC(=Cc2ccc(-c3ccccc3Cl)o2)C(=O)O)c1.
What is the InChIKey of 2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid?
The InChIKey is UGNWAQLXWYNNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4/c21-16-7-2-1-6-15(16)18-9-8-14(27-18)11-17(20(25)26)23-19(24)12-4-3-5-13(22)10-12/h1-11H,22H2,(H,23,24)(H,25,26).
What are the key properties of 2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid?
2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid has a molecular weight of 382.80 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid is sourced from PubChem (CID 76823927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).