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

C18H24ClN3O5 — CID 126385152

IUPAC2-[2-chloro-4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
SMILESCOc1cc(/C=N\NC(=O)CNC2CCCCC2)cc(Cl)c1OCC(=O)O
InChIInChI=1S/C18H24ClN3O5/c1-26-15-8-12(7-14(19)18(15)27-11-17(24)25)9-21-22-16(23)10-20-13-5-3-2-4-6-13/h7-9,13,20H,2-6,10-11H2,1H3,(H,22,23)(H,24,25)/b21-9-
InChIKeyNTHGZYSTXHGQSQ-NKVSQWTQSA-N
MW397.86 g/mol
LogP2.18
Rot. Bonds9

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

2-[2-chloro-4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid (PubChem CID 126385152) has the molecular formula C18H24ClN3O5 and a molecular weight of 397.86 g/mol. Its IUPAC name is 2-[2-chloro-4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
PubChem CID126385152
Molecular FormulaC18H24ClN3O5
Molecular Weight397.86 g/mol
Exact Mass397.14
IUPAC Name2-[2-chloro-4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
SMILESCOc1cc(/C=N\NC(=O)CNC2CCCCC2)cc(Cl)c1OCC(=O)O
InChIInChI=1S/C18H24ClN3O5/c1-26-15-8-12(7-14(19)18(15)27-11-17(24)25)9-21-22-16(23)10-20-13-5-3-2-4-6-13/h7-9,13,20H,2-6,10-11H2,1H3,(H,22,23)(H,24,25)/b21-9-
InChIKeyNTHGZYSTXHGQSQ-NKVSQWTQSA-N
XLogP2.18
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-chloro-4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]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-[2-chloro-4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
CID 8989928
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid
CID 19617941
2-[4-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]-2-chloro-6-methoxyphenoxy]acetic acid
CID 19061289
2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
CID 126201965
2-[2-chloro-6-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetic acid
CID 126270328
2-[4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-2-chloro-6-methoxyphenoxy]acetic acid
CID 17245268
2-[4-[(Z)-[[2-[[(2S)-butan-2-yl]amino]-2-oxoacetyl]hydrazinylidene]methyl]-2-chloro-6-methoxyphenoxy]acetic acid
CID 8989926
2-[2-chloro-6-methoxy-4-[(Z)-[(3-methylbenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126266876
2-[4-[(Z)-(acetylhydrazinylidene)methyl]-2,6-dichlorophenoxy]acetic acid
CID 126019392
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
CID 957945
2-(cyclohexylamino)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 137094323
methyl 2-[2-chloro-4-[(E)-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetate
CID 126365946

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid?
The IUPAC name of 2-[2-chloro-4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid (CID 126385152) is 2-[2-chloro-4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[2-chloro-4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid?
The canonical SMILES for 2-[2-chloro-4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid is COc1cc(/C=N\NC(=O)CNC2CCCCC2)cc(Cl)c1OCC(=O)O.
What is the InChIKey of 2-[2-chloro-4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid?
The InChIKey is NTHGZYSTXHGQSQ-NKVSQWTQSA-N. The full InChI is InChI=1S/C18H24ClN3O5/c1-26-15-8-12(7-14(19)18(15)27-11-17(24)25)9-21-22-16(23)10-20-13-5-3-2-4-6-13/h7-9,13,20H,2-6,10-11H2,1H3,(H,22,23)(H,24,25)/b21-9-.
What are the key properties of 2-[2-chloro-4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid?
2-[2-chloro-4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid has a molecular weight of 397.86 g/mol, XLogP of 2.18, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid is sourced from PubChem (CID 126385152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).