4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid

C17H12N2O4 — CID 5427120

IUPAC4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid
SMILESO=C(O)c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C17H12N2O4/c20-16(15-9-13-3-1-2-4-14(13)23-15)19-18-10-11-5-7-12(8-6-11)17(21)22/h1-10H,(H,19,20)(H,21,22)/b18-10-
InChIKeyVXUDRFPTUGJXMB-ZDLGFXPLSA-N
MW308.29 g/mol
LogP2.89
Rot. Bonds4

About 4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid

4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid (PubChem CID 5427120) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is 4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid
PubChem CID5427120
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid
SMILESO=C(O)c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C17H12N2O4/c20-16(15-9-13-3-1-2-4-14(13)23-15)19-18-10-11-5-7-12(8-6-11)17(21)22/h1-10H,(H,19,20)(H,21,22)/b18-10-
InChIKeyVXUDRFPTUGJXMB-ZDLGFXPLSA-N
XLogP2.89
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.89
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-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5411313
N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5418856
[4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6104350
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6882841
3-[[4-[(1-benzofuran-2-carbonylhydrazinylidene)methyl]-2-chlorophenoxy]methyl]benzoic acid
CID 1283283
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96883350
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide
CID 96889885
N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 124553849
N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 1018695
N-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 11995312
N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50853757
N-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137173683

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid?
The IUPAC name of 4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid (CID 5427120) is 4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid.
What is the SMILES notation for 4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid?
The canonical SMILES for 4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid is O=C(O)c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of 4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid?
The InChIKey is VXUDRFPTUGJXMB-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H12N2O4/c20-16(15-9-13-3-1-2-4-14(13)23-15)19-18-10-11-5-7-12(8-6-11)17(21)22/h1-10H,(H,19,20)(H,21,22)/b18-10-.
What are the key properties of 4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid?
4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid has a molecular weight of 308.29 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid is sourced from PubChem (CID 5427120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).