4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid

C17H13N3O4 — CID 110209219

IUPAC4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
SMILESN#Cc1ccccc1OCC(=O)NN=Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H13N3O4/c18-9-14-3-1-2-4-15(14)24-11-16(21)20-19-10-12-5-7-13(8-6-12)17(22)23/h1-8,10H,11H2,(H,20,21)(H,22,23)
InChIKeyJTXWRHGFDYVLPN-UHFFFAOYSA-N
MW323.31 g/mol
LogP1.79
Rot. Bonds6

About 4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid

4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 110209219) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is 4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
PubChem CID110209219
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC Name4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
SMILESN#Cc1ccccc1OCC(=O)NN=Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H13N3O4/c18-9-14-3-1-2-4-15(14)24-11-16(21)20-19-10-12-5-7-13(8-6-12)17(22)23/h1-8,10H,11H2,(H,20,21)(H,22,23)
InChIKeyJTXWRHGFDYVLPN-UHFFFAOYSA-N
XLogP1.79
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid with MolForge

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Related Compounds

N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
CID 789568
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 5392514
2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 42995701
4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 784771
4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid
CID 958505
2-(2-cyanophenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 7032347
2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 7038076
2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
CID 780706
2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 3316109
2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 42995743
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide
CID 9467627
2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129438375

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid (CID 110209219) is 4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid is N#Cc1ccccc1OCC(=O)NN=Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is JTXWRHGFDYVLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c18-9-14-3-1-2-4-15(14)24-11-16(21)20-19-10-12-5-7-13(8-6-12)17(22)23/h1-8,10H,11H2,(H,20,21)(H,22,23).
What are the key properties of 4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 323.31 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 110209219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).