4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid

C20H16N2O4 — CID 958505

IUPAC4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid
SMILESO=C(COc1cccc2ccccc12)NN=Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C20H16N2O4/c23-19(22-21-12-14-8-10-16(11-9-14)20(24)25)13-26-18-7-3-5-15-4-1-2-6-17(15)18/h1-12H,13H2,(H,22,23)(H,24,25)
InChIKeyPHENILCAVMKXDN-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.07
Rot. Bonds6

About 4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid

4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid (PubChem CID 958505) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid
PubChem CID958505
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid
SMILESO=C(COc1cccc2ccccc12)NN=Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C20H16N2O4/c23-19(22-21-12-14-8-10-16(11-9-14)20(24)25)13-26-18-7-3-5-15-4-1-2-6-17(15)18/h1-12H,13H2,(H,22,23)(H,24,25)
InChIKeyPHENILCAVMKXDN-UHFFFAOYSA-N
XLogP3.07
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.07
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-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3274359
4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 784771
4-[[2,6-diiodo-4-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126008767
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 773201
4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 110209219
2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide
CID 957194
[4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 6036518
2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide
CID 3763934
N-(cinnamylideneamino)-2-naphthalen-1-yloxyacetamide
CID 3883435
N-(benzylideneamino)-2-(2-hydroxyphenoxy)acetamide
CID 2308885
[2-methoxy-4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 4534440
4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 9241516

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid (CID 958505) is 4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid is O=C(COc1cccc2ccccc12)NN=Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid?
The InChIKey is PHENILCAVMKXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-19(22-21-12-14-8-10-16(11-9-14)20(24)25)13-26-18-7-3-5-15-4-1-2-6-17(15)18/h1-12H,13H2,(H,22,23)(H,24,25).
What are the key properties of 4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid?
4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid has a molecular weight of 348.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 958505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).