N-[2-(4-aminophenyl)ethylideneamino]furan-2-carboxamide

C13H13N3O2 — CID 67209041

IUPACN-[2-(4-aminophenyl)ethylideneamino]furan-2-carboxamide
SMILESNc1ccc(CC=NNC(=O)c2ccco2)cc1
InChIInChI=1S/C13H13N3O2/c14-11-5-3-10(4-6-11)7-8-15-16-13(17)12-2-1-9-18-12/h1-6,8-9H,7,14H2,(H,16,17)
InChIKeyZHNJFAUQGKWGCJ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.82
Rot. Bonds4

About N-[2-(4-aminophenyl)ethylideneamino]furan-2-carboxamide

N-[2-(4-aminophenyl)ethylideneamino]furan-2-carboxamide (PubChem CID 67209041) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethylideneamino]furan-2-carboxamide
PubChem CID67209041
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[2-(4-aminophenyl)ethylideneamino]furan-2-carboxamide
SMILESNc1ccc(CC=NNC(=O)c2ccco2)cc1
InChIInChI=1S/C13H13N3O2/c14-11-5-3-10(4-6-11)7-8-15-16-13(17)12-2-1-9-18-12/h1-6,8-9H,7,14H2,(H,16,17)
InChIKeyZHNJFAUQGKWGCJ-UHFFFAOYSA-N
XLogP1.82
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide
CID 7406194
N-(diaminomethylideneamino)furan-2-carboxamide
CID 15761647
N-[(Z)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136661630
N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 678532
(4-aminophenyl)-ethylidene-(furan-2-carbonylamino)azanium
CID 77241276
(E,4E)-2,3-dibromo-4-(furan-2-carbonylhydrazinylidene)but-2-enoic acid
CID 92801215
N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]furan-2-carboxamide
CID 92534270
N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6885887
N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide
CID 668435
N-[2-(4-chlorophenyl)ethylideneamino]benzamide
CID 123356691
N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide
CID 7290216
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethylideneamino]furan-2-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)ethylideneamino]furan-2-carboxamide (CID 67209041) is N-[2-(4-aminophenyl)ethylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethylideneamino]furan-2-carboxamide is Nc1ccc(CC=NNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethylideneamino]furan-2-carboxamide?
The InChIKey is ZHNJFAUQGKWGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-11-5-3-10(4-6-11)7-8-15-16-13(17)12-2-1-9-18-12/h1-6,8-9H,7,14H2,(H,16,17).
What are the key properties of N-[2-(4-aminophenyl)ethylideneamino]furan-2-carboxamide?
N-[2-(4-aminophenyl)ethylideneamino]furan-2-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 67209041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).