2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

C17H15ClN2O5 — CID 1104421

IUPAC2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1C=NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C17H15ClN2O5/c18-13-6-2-4-8-15(13)24-10-16(21)20-19-9-12-5-1-3-7-14(12)25-11-17(22)23/h1-9H,10-11H2,(H,20,21)(H,22,23)
InChIKeyBWVFYZJJWUWQGH-UHFFFAOYSA-N
MW362.77 g/mol
LogP2.33
Rot. Bonds8

About 2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 1104421) has the molecular formula C17H15ClN2O5 and a molecular weight of 362.77 g/mol. Its IUPAC name is 2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID1104421
Molecular FormulaC17H15ClN2O5
Molecular Weight362.77 g/mol
Exact Mass362.07
IUPAC Name2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1C=NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C17H15ClN2O5/c18-13-6-2-4-8-15(13)24-10-16(21)20-19-9-12-5-1-3-7-14(12)25-11-17(22)23/h1-9H,10-11H2,(H,20,21)(H,22,23)
InChIKeyBWVFYZJJWUWQGH-UHFFFAOYSA-N
XLogP2.33
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 52.33
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'}

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Related Compounds

2-[2-[[[2-(2-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1244956
2-[2-[[[2-(4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 805205
2-[2-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104419
2-(2-bromophenoxy)-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 6083444
2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6910990
2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 958366
2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 45055184
2-(2-chlorophenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 958496
2-(2,3-dichlorophenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136808275
2-(2-chlorophenoxy)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3361863
2-(4-bromo-2-chlorophenoxy)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 4631727
2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5413877

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid (CID 1104421) is 2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1C=NNC(=O)COc1ccccc1Cl.
What is the InChIKey of 2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is BWVFYZJJWUWQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5/c18-13-6-2-4-8-15(13)24-10-16(21)20-19-9-12-5-1-3-7-14(12)25-11-17(22)23/h1-9H,10-11H2,(H,20,21)(H,22,23).
What are the key properties of 2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 362.77 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 1104421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).