N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide

C13H12N2O3 — CID 135781724

IUPACN-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C13H12N2O3/c1-9-12(6-7-18-9)13(17)15-14-8-10-2-4-11(16)5-3-10/h2-8,16H,1H3,(H,15,17)/b14-8-
InChIKeyCNJIISPUPSVKQD-ZSOIEALJSA-N
MW244.25 g/mol
LogP2.06
Rot. Bonds3

About N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide

N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 135781724) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID135781724
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC NameN-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C13H12N2O3/c1-9-12(6-7-18-9)13(17)15-14-8-10-2-4-11(16)5-3-10/h2-8,16H,1H3,(H,15,17)/b14-8-
InChIKeyCNJIISPUPSVKQD-ZSOIEALJSA-N
XLogP2.06
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide
CID 5412695
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 136672376
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 136851848
N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 872797
[4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 5240816
N-[(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 870863
N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5340130
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 761682
2-methyl-N-[(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 761677
2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 6886797
1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5402053

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide (CID 135781724) is N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N/N=C\c1ccc(O)cc1.
What is the InChIKey of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is CNJIISPUPSVKQD-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-9-12(6-7-18-9)13(17)15-14-8-10-2-4-11(16)5-3-10/h2-8,16H,1H3,(H,15,17)/b14-8-.
What are the key properties of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide?
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 135781724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).