2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid

C17H16N2O4 — CID 956205

IUPAC2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C=NNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H16N2O4/c20-16(10-13-4-2-1-3-5-13)19-18-11-14-6-8-15(9-7-14)23-12-17(21)22/h1-9,11H,10,12H2,(H,19,20)(H,21,22)
InChIKeyFVSIFOUEZRPTRQ-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.84
Rot. Bonds7

About 2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid

2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 956205) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID956205
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C=NNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H16N2O4/c20-16(10-13-4-2-1-3-5-13)19-18-11-14-6-8-15(9-7-14)23-12-17(21)22/h1-9,11H,10,12H2,(H,19,20)(H,21,22)
InChIKeyFVSIFOUEZRPTRQ-UHFFFAOYSA-N
XLogP1.84
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.84
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'}

Analyze 2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
2-[4-[[[2-(benzylideneamino)oxyacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 5047309
2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 3290188
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663646
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 6874469
2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 171157296
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524
N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide
CID 6899001
2-[4-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8518057
2-[4-[(E)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6909519

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid (CID 956205) is 2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid is O=C(O)COc1ccc(C=NNC(=O)Cc2ccccc2)cc1.
What is the InChIKey of 2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is FVSIFOUEZRPTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-16(10-13-4-2-1-3-5-13)19-18-11-14-6-8-15(9-7-14)23-12-17(21)22/h1-9,11H,10,12H2,(H,19,20)(H,21,22).
What are the key properties of 2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid?
2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 312.33 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 956205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).