N-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide

C13H12N2O3 — CID 963063

IUPACN-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NN=Cc2cccc(O)c2)o1
InChIInChI=1S/C13H12N2O3/c1-9-5-6-12(18-9)13(17)15-14-8-10-3-2-4-11(16)7-10/h2-8,16H,1H3,(H,15,17)
InChIKeyPJBDHIJUGMQBDF-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.06
Rot. Bonds3

About N-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide

N-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide (PubChem CID 963063) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
PubChem CID963063
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC NameN-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NN=Cc2cccc(O)c2)o1
InChIInChI=1S/C13H12N2O3/c1-9-5-6-12(18-9)13(17)15-14-8-10-3-2-4-11(16)7-10/h2-8,16H,1H3,(H,15,17)
InChIKeyPJBDHIJUGMQBDF-UHFFFAOYSA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 4105460
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide
CID 126375359
N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6885887
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 137122771
5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 3699372
N-[(Z)-(4-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 6188173
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5418227
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 5399329
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464574
N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide
CID 6011240
N-[(E)-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide
CID 21370338
3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17126659

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide (CID 963063) is N-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NN=Cc2cccc(O)c2)o1.
What is the InChIKey of N-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide?
The InChIKey is PJBDHIJUGMQBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-9-5-6-12(18-9)13(17)15-14-8-10-3-2-4-11(16)7-10/h2-8,16H,1H3,(H,15,17).
What are the key properties of N-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide?
N-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-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-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 963063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).