5-(5-chloro-2-ethoxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide

C14H14ClN3O3 — CID 11324276

IUPAC5-(5-chloro-2-ethoxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide
SMILESCCOc1ccc(Cl)cc1-c1ccc(C(=O)N=C(N)N)o1
InChIInChI=1S/C14H14ClN3O3/c1-2-20-10-4-3-8(15)7-9(10)11-5-6-12(21-11)13(19)18-14(16)17/h3-7H,2H2,1H3,(H4,16,17,18,19)
InChIKeyPOAULWSYSFAXTP-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.41
Rot. Bonds4

About 5-(5-chloro-2-ethoxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide

5-(5-chloro-2-ethoxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide (PubChem CID 11324276) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 5-(5-chloro-2-ethoxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-ethoxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide
PubChem CID11324276
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name5-(5-chloro-2-ethoxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide
SMILESCCOc1ccc(Cl)cc1-c1ccc(C(=O)N=C(N)N)o1
InChIInChI=1S/C14H14ClN3O3/c1-2-20-10-4-3-8(15)7-9(10)11-5-6-12(21-11)13(19)18-14(16)17/h3-7H,2H2,1H3,(H4,16,17,18,19)
InChIKeyPOAULWSYSFAXTP-UHFFFAOYSA-N
XLogP2.41
TPSA103.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-(5-chloro-2-ethoxyphenyl)-N-(diaminomethylidene)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 5-(5-chloro-2-ethoxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide?
The IUPAC name of 5-(5-chloro-2-ethoxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide (CID 11324276) is 5-(5-chloro-2-ethoxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-ethoxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2-ethoxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide is CCOc1ccc(Cl)cc1-c1ccc(C(=O)N=C(N)N)o1.
What is the InChIKey of 5-(5-chloro-2-ethoxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide?
The InChIKey is POAULWSYSFAXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-2-20-10-4-3-8(15)7-9(10)11-5-6-12(21-11)13(19)18-14(16)17/h3-7H,2H2,1H3,(H4,16,17,18,19).
What are the key properties of 5-(5-chloro-2-ethoxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide?
5-(5-chloro-2-ethoxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide has a molecular weight of 307.74 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-ethoxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide is sourced from PubChem (CID 11324276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).