2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid

C11H12ClN3O5 — CID 19617941

IUPAC2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid
SMILESCOc1cc(/C=N/NC(N)=O)cc(Cl)c1OCC(=O)O
InChIInChI=1S/C11H12ClN3O5/c1-19-8-3-6(4-14-15-11(13)18)2-7(12)10(8)20-5-9(16)17/h2-4H,5H2,1H3,(H,16,17)(H3,13,15,18)/b14-4+
InChIKeyILADHWQQDWTLMX-LNKIKWGQSA-N
MW301.69 g/mol
LogP0.81
Rot. Bonds6

About 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid

2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid (PubChem CID 19617941) has the molecular formula C11H12ClN3O5 and a molecular weight of 301.69 g/mol. Its IUPAC name is 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid
PubChem CID19617941
Molecular FormulaC11H12ClN3O5
Molecular Weight301.69 g/mol
Exact Mass301.05
IUPAC Name2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid
SMILESCOc1cc(/C=N/NC(N)=O)cc(Cl)c1OCC(=O)O
InChIInChI=1S/C11H12ClN3O5/c1-19-8-3-6(4-14-15-11(13)18)2-7(12)10(8)20-5-9(16)17/h2-4H,5H2,1H3,(H,16,17)(H3,13,15,18)/b14-4+
InChIKeyILADHWQQDWTLMX-LNKIKWGQSA-N
XLogP0.81
TPSA123.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 50.81
H-Bond Donors ≤ 53
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-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]acetic acid
CID 840658
2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
CID 126201965
2-[2-chloro-4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
CID 8989928
methyl 2-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetate
CID 6150314
2-[2-chloro-6-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetic acid
CID 126270328
2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide
CID 57361228
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
2-[4-[(Z)-[[2-[[(2S)-butan-2-yl]amino]-2-oxoacetyl]hydrazinylidene]methyl]-2-chloro-6-methoxyphenoxy]acetic acid
CID 8989926
[(Z)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]urea
CID 6079153
[[3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]urea
CID 3501853
2-[2-chloro-4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
CID 126385152

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid?
The IUPAC name of 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid (CID 19617941) is 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid?
The canonical SMILES for 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid is COc1cc(/C=N/NC(N)=O)cc(Cl)c1OCC(=O)O.
What is the InChIKey of 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid?
The InChIKey is ILADHWQQDWTLMX-LNKIKWGQSA-N. The full InChI is InChI=1S/C11H12ClN3O5/c1-19-8-3-6(4-14-15-11(13)18)2-7(12)10(8)20-5-9(16)17/h2-4H,5H2,1H3,(H,16,17)(H3,13,15,18)/b14-4+.
What are the key properties of 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid?
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid has a molecular weight of 301.69 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid is sourced from PubChem (CID 19617941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).