N-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

C19H15ClN2O4 — CID 1367315

IUPACN-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(NCc1ccco1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1
InChIInChI=1S/C19H15ClN2O4/c20-14-7-5-13(6-8-14)11-16(22-19(24)17-4-2-10-26-17)18(23)21-12-15-3-1-9-25-15/h1-11H,12H2,(H,21,23)(H,22,24)/b16-11-
InChIKeyNAWITYAGLFAURI-WJDWOHSUSA-N
MW370.79 g/mol
LogP3.61
Rot. Bonds6

About N-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

N-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 1367315) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is N-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
PubChem CID1367315
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC NameN-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(NCc1ccco1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1
InChIInChI=1S/C19H15ClN2O4/c20-14-7-5-13(6-8-14)11-16(22-19(24)17-4-2-10-26-17)18(23)21-12-15-3-1-9-25-15/h1-11H,12H2,(H,21,23)(H,22,24)/b16-11-
InChIKeyNAWITYAGLFAURI-WJDWOHSUSA-N
XLogP3.61
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide 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 N-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (CID 1367315) is N-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is O=C(NCc1ccco1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1.
What is the InChIKey of N-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is NAWITYAGLFAURI-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c20-14-7-5-13(6-8-14)11-16(22-19(24)17-4-2-10-26-17)18(23)21-12-15-3-1-9-25-15/h1-11H,12H2,(H,21,23)(H,22,24)/b16-11-.
What are the key properties of N-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
N-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 370.79 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1367315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).