2-[4-[(Z)-(acetylhydrazinylidene)methyl]-2,6-dichlorophenoxy]acetic acid

C11H10Cl2N2O4 — CID 126019392

IUPAC2-[4-[(Z)-(acetylhydrazinylidene)methyl]-2,6-dichlorophenoxy]acetic acid
SMILESCC(=O)N/N=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O4/c1-6(16)15-14-4-7-2-8(12)11(9(13)3-7)19-5-10(17)18/h2-4H,5H2,1H3,(H,15,16)(H,17,18)/b14-4-
InChIKeyKWVMPDCFGXYSAV-CPSFFCFKSA-N
MW305.12 g/mol
LogP1.93
Rot. Bonds5

About 2-[4-[(Z)-(acetylhydrazinylidene)methyl]-2,6-dichlorophenoxy]acetic acid

2-[4-[(Z)-(acetylhydrazinylidene)methyl]-2,6-dichlorophenoxy]acetic acid (PubChem CID 126019392) has the molecular formula C11H10Cl2N2O4 and a molecular weight of 305.12 g/mol. Its IUPAC name is 2-[4-[(Z)-(acetylhydrazinylidene)methyl]-2,6-dichlorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(Z)-(acetylhydrazinylidene)methyl]-2,6-dichlorophenoxy]acetic acid
PubChem CID126019392
Molecular FormulaC11H10Cl2N2O4
Molecular Weight305.12 g/mol
Exact Mass304.00
IUPAC Name2-[4-[(Z)-(acetylhydrazinylidene)methyl]-2,6-dichlorophenoxy]acetic acid
SMILESCC(=O)N/N=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O4/c1-6(16)15-14-4-7-2-8(12)11(9(13)3-7)19-5-10(17)18/h2-4H,5H2,1H3,(H,15,16)(H,17,18)/b14-4-
InChIKeyKWVMPDCFGXYSAV-CPSFFCFKSA-N
XLogP1.93
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.93
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-[2,6-dichloro-4-[(Z)-[[2-oxo-2-(propan-2-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8990106
2-[2,6-dichloro-4-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]acetic acid
CID 6044123
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid
CID 19617941
2-[2,6-dichloro-4-[[(2-methylphenyl)carbamoylhydrazinylidene]methyl]phenoxy]acetic acid
CID 3953279
2-[4-[(Z)-[[2-[[(2S)-butan-2-yl]amino]-2-oxoacetyl]hydrazinylidene]methyl]-2-chloro-6-methoxyphenoxy]acetic acid
CID 8989926
2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
CID 126201965
2-[2-chloro-6-ethoxy-4-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]acetic acid
CID 4038892
2-[2-chloro-4-[(E)-[(3,4-diethoxybenzoyl)hydrazinylidene]methyl]-6-ethoxyphenoxy]acetic acid
CID 126340491
N-[(Z)-[3,5-dichloro-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126016397
2-[2-chloro-4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
CID 8989928
2-[4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-2-chloro-6-methoxyphenoxy]acetic acid
CID 17245268
2-[4-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]-2-chloro-6-methoxyphenoxy]acetic acid
CID 19061289

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-(acetylhydrazinylidene)methyl]-2,6-dichlorophenoxy]acetic acid?
The IUPAC name of 2-[4-[(Z)-(acetylhydrazinylidene)methyl]-2,6-dichlorophenoxy]acetic acid (CID 126019392) is 2-[4-[(Z)-(acetylhydrazinylidene)methyl]-2,6-dichlorophenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(Z)-(acetylhydrazinylidene)methyl]-2,6-dichlorophenoxy]acetic acid?
The canonical SMILES for 2-[4-[(Z)-(acetylhydrazinylidene)methyl]-2,6-dichlorophenoxy]acetic acid is CC(=O)N/N=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1.
What is the InChIKey of 2-[4-[(Z)-(acetylhydrazinylidene)methyl]-2,6-dichlorophenoxy]acetic acid?
The InChIKey is KWVMPDCFGXYSAV-CPSFFCFKSA-N. The full InChI is InChI=1S/C11H10Cl2N2O4/c1-6(16)15-14-4-7-2-8(12)11(9(13)3-7)19-5-10(17)18/h2-4H,5H2,1H3,(H,15,16)(H,17,18)/b14-4-.
What are the key properties of 2-[4-[(Z)-(acetylhydrazinylidene)methyl]-2,6-dichlorophenoxy]acetic acid?
2-[4-[(Z)-(acetylhydrazinylidene)methyl]-2,6-dichlorophenoxy]acetic acid has a molecular weight of 305.12 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-(acetylhydrazinylidene)methyl]-2,6-dichlorophenoxy]acetic acid is sourced from PubChem (CID 126019392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).