4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide

C18H14ClN3O2 — CID 18283704

IUPAC4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H14ClN3O2/c19-14-5-1-12(2-6-14)17-10-9-16(24-17)11-21-22-18(23)13-3-7-15(20)8-4-13/h1-11H,20H2,(H,22,23)/b21-11+
InChIKeyJHKLBYRRFHZOLN-SRZZPIQSSA-N
MW339.78 g/mol
LogP3.95
Rot. Bonds4

About 4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide

4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide (PubChem CID 18283704) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide
PubChem CID18283704
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H14ClN3O2/c19-14-5-1-12(2-6-14)17-10-9-16(24-17)11-21-22-18(23)13-3-7-15(20)8-4-13/h1-11H,20H2,(H,22,23)/b21-11+
InChIKeyJHKLBYRRFHZOLN-SRZZPIQSSA-N
XLogP3.95
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide 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

N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6872153
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 689480
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
CID 29227500
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]thiourea
CID 841815
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 6891757
5-chloro-N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126022126
4-[5-[(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 772353
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-methylthiourea
CID 74279058
4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-N-methylbenzamide
CID 141475173
2-(4-chloroanilino)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126371391
4-[5-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126368332

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide (CID 18283704) is 4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide is Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide?
The InChIKey is JHKLBYRRFHZOLN-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-14-5-1-12(2-6-14)17-10-9-16(24-17)11-21-22-18(23)13-3-7-15(20)8-4-13/h1-11H,20H2,(H,22,23)/b21-11+.
What are the key properties of 4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide?
4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide has a molecular weight of 339.78 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 18283704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).