[[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate

C15H18Cl2N2O2 — CID 3130760

IUPAC[[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate
SMILESNC(Cc1ccc(Cl)cc1Cl)=NOC(=O)C1CCCCC1
InChIInChI=1S/C15H18Cl2N2O2/c16-12-7-6-11(13(17)9-12)8-14(18)19-21-15(20)10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H2,18,19)
InChIKeyFVCFDERJKJAGRH-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.93
Rot. Bonds4

About [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate

[[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate (PubChem CID 3130760) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate.

Molecular Properties

Compound Name[[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate
PubChem CID3130760
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name[[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate
SMILESNC(Cc1ccc(Cl)cc1Cl)=NOC(=O)C1CCCCC1
InChIInChI=1S/C15H18Cl2N2O2/c16-12-7-6-11(13(17)9-12)8-14(18)19-21-15(20)10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H2,18,19)
InChIKeyFVCFDERJKJAGRH-UHFFFAOYSA-N
XLogP3.93
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate 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

(2,4-dichlorophenyl)methyl cyclobutanecarboxylate
CID 2374200
[(1-amino-2-naphthalen-1-ylethylidene)amino] cyclohexanecarboxylate
CID 3815100
[[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-(2-methoxyphenyl)acetate
CID 2922489
(2,4,6-trichlorophenyl) cyclopentanecarboxylate
CID 55335085
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 9200082
1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone
CID 116557220
[[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-chloro-4-nitrobenzoate
CID 2974990
1-(azepan-2-yl)-2-(2,4-dichlorophenyl)ethanone
CID 116582482
methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate
CID 115280064
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
CID 116751294
1-[2-(2,4-dichlorophenyl)acetyl]azepane-2-carboxylic acid
CID 64558807
2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 114853673

Frequently Asked Questions

What is the IUPAC name of [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate?
The IUPAC name of [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate (CID 3130760) is [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate.
What is the SMILES notation for [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate?
The canonical SMILES for [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate is NC(Cc1ccc(Cl)cc1Cl)=NOC(=O)C1CCCCC1.
What is the InChIKey of [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate?
The InChIKey is FVCFDERJKJAGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c16-12-7-6-11(13(17)9-12)8-14(18)19-21-15(20)10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H2,18,19).
What are the key properties of [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate?
[[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate has a molecular weight of 329.23 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate is sourced from PubChem (CID 3130760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).