2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid

C19H14N2O4 — CID 50883717

IUPAC2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
SMILESO=C(NN=Cc1ccc(-c2ccccc2C(=O)O)o1)c1ccccc1
InChIInChI=1S/C19H14N2O4/c22-18(13-6-2-1-3-7-13)21-20-12-14-10-11-17(25-14)15-8-4-5-9-16(15)19(23)24/h1-12H,(H,21,22)(H,23,24)
InChIKeyGEDUINBLZVUJNS-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.41
Rot. Bonds5

About 2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid

2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid (PubChem CID 50883717) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
PubChem CID50883717
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
SMILESO=C(NN=Cc1ccc(-c2ccccc2C(=O)O)o1)c1ccccc1
InChIInChI=1S/C19H14N2O4/c22-18(13-6-2-1-3-7-13)21-20-12-14-10-11-17(25-14)15-8-4-5-9-16(15)19(23)24/h1-12H,(H,21,22)(H,23,24)
InChIKeyGEDUINBLZVUJNS-UHFFFAOYSA-N
XLogP3.41
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.41
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

2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 97312608
2-[5-[[(3-acetamidobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3311637
2-[5-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 5427044
2-[5-[(thiophene-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 921616
2-[5-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 5419728
2-[5-[(Z)-(benzoylhydrazinylidene)methyl]furan-2-yl]-5-nitrobenzoic acid
CID 126145602
2-[5-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126269614
2-[5-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126269619
2-[5-[(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 1231185
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
CID 5409337
5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid
CID 126223635
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide
CID 5397633

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
The IUPAC name of 2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid (CID 50883717) is 2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid is O=C(NN=Cc1ccc(-c2ccccc2C(=O)O)o1)c1ccccc1.
What is the InChIKey of 2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
The InChIKey is GEDUINBLZVUJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c22-18(13-6-2-1-3-7-13)21-20-12-14-10-11-17(25-14)15-8-4-5-9-16(15)19(23)24/h1-12H,(H,21,22)(H,23,24).
What are the key properties of 2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid has a molecular weight of 334.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 50883717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).