2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid

C17H14Cl2N2O5 — CID 126201965

IUPAC2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
SMILESCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)O
InChIInChI=1S/C17H14Cl2N2O5/c1-25-14-7-10(6-13(19)16(14)26-9-15(22)23)8-20-21-17(24)11-2-4-12(18)5-3-11/h2-8H,9H2,1H3,(H,21,24)(H,22,23)/b20-8-
InChIKeyVSODYHUYNHYZEG-ZBKNUEDVSA-N
MW397.21 g/mol
LogP3.23
Rot. Bonds7

About 2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid

2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid (PubChem CID 126201965) has the molecular formula C17H14Cl2N2O5 and a molecular weight of 397.21 g/mol. Its IUPAC name is 2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
PubChem CID126201965
Molecular FormulaC17H14Cl2N2O5
Molecular Weight397.21 g/mol
Exact Mass396.03
IUPAC Name2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
SMILESCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)O
InChIInChI=1S/C17H14Cl2N2O5/c1-25-14-7-10(6-13(19)16(14)26-9-15(22)23)8-20-21-17(24)11-2-4-12(18)5-3-11/h2-8H,9H2,1H3,(H,21,24)(H,22,23)/b20-8-
InChIKeyVSODYHUYNHYZEG-ZBKNUEDVSA-N
XLogP3.23
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.21
LogP ≤ 53.23
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-chloro-6-methoxy-4-[(Z)-[(3-methylbenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126266876
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid
CID 19617941
2-[2-chloro-4-[(E)-[(3,4-diethoxybenzoyl)hydrazinylidene]methyl]-6-ethoxyphenoxy]acetic acid
CID 126340491
4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
CID 4512927
3-[[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126198234
2-[4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-2-chloro-6-methoxyphenoxy]acetic acid
CID 17245268
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-4-bromobenzamide
CID 126271574
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylideneamino]-4-chlorobenzamide
CID 126258500
N-[(Z)-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]-4-chlorobenzamide
CID 126196928
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-iodo-5-methoxyphenyl]methylideneamino]-4-chlorobenzamide
CID 126254737
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 900213
4-chloro-N-[(Z)-[3-chloro-5-methoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide
CID 126199234

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid?
The IUPAC name of 2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid (CID 126201965) is 2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid?
The canonical SMILES for 2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid is COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)O.
What is the InChIKey of 2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid?
The InChIKey is VSODYHUYNHYZEG-ZBKNUEDVSA-N. The full InChI is InChI=1S/C17H14Cl2N2O5/c1-25-14-7-10(6-13(19)16(14)26-9-15(22)23)8-20-21-17(24)11-2-4-12(18)5-3-11/h2-8H,9H2,1H3,(H,21,24)(H,22,23)/b20-8-.
What are the key properties of 2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid?
2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid has a molecular weight of 397.21 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid is sourced from PubChem (CID 126201965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).