N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide

C16H12N2O3 — CID 96895342

IUPACN-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1cccc(O)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H12N2O3/c19-13-6-3-4-11(8-13)10-17-18-16(20)15-9-12-5-1-2-7-14(12)21-15/h1-10,19H,(H,18,20)/b17-10+
InChIKeyFVCYHGYEOQAVLQ-LICLKQGHSA-N
MW280.28 g/mol
LogP2.90
Rot. Bonds3

About N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide

N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 96895342) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID96895342
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC NameN-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1cccc(O)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H12N2O3/c19-13-6-3-4-11(8-13)10-17-18-16(20)15-9-12-5-1-2-7-14(12)21-15/h1-10,19H,(H,18,20)/b17-10+
InChIKeyFVCYHGYEOQAVLQ-LICLKQGHSA-N
XLogP2.90
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.90
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-bromo-4-hydroxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 135494677
N'-(1-naphthylmethylene)-1-benzofuran-2-carbohydrazide
CID 6873935
N'-(2-fluorobenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876336
2-hydroxy-N-[(E)-(5-phenylfuran-2-yl)methylideneamino]benzamide
CID 6881299
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-benzofuran-2-carboxamide
CID 6886843
N'-(2-hydroxybenzoyl)-1-benzofuran-2-carbohydrazide
CID 7661749
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-hydroxybenzamide
CID 9629236
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6874799
N'-[(4-oxo-4H-chromen-3-yl)methylene]-1-benzofuran-2-carbohydrazide
CID 9557333
N'-(3,5-dibromo-4-hydroxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 135648080
N'-(3,4-dimethoxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876214
N'-(3-hydroxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 9558067

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide (CID 96895342) is N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide is O=C(N/N=C/c1cccc(O)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is FVCYHGYEOQAVLQ-LICLKQGHSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-13-6-3-4-11(8-13)10-17-18-16(20)15-9-12-5-1-2-7-14(12)21-15/h1-10,19H,(H,18,20)/b17-10+.
What are the key properties of N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 280.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 96895342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).