N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-ethyl-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide

C20H27ClFN3O — CID 119160786

IUPACN-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-ethyl-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide
SMILESCC/N=C(/NC1CC1c1c(F)cccc1Cl)N1CCC2(CCOCC2)C1
InChIInChI=1S/C20H27ClFN3O/c1-2-23-19(25-9-6-20(13-25)7-10-26-11-8-20)24-17-12-14(17)18-15(21)4-3-5-16(18)22/h3-5,14,17H,2,6-13H2,1H3,(H,23,24)
InChIKeyKRLURKKAAVVYQI-UHFFFAOYSA-N
MW379.91 g/mol
LogP3.80
Rot. Bonds3

About N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-ethyl-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide

N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-ethyl-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 119160786) has the molecular formula C20H27ClFN3O and a molecular weight of 379.91 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-ethyl-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-ethyl-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID119160786
Molecular FormulaC20H27ClFN3O
Molecular Weight379.91 g/mol
Exact Mass379.18
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-ethyl-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide
SMILESCC/N=C(/NC1CC1c1c(F)cccc1Cl)N1CCC2(CCOCC2)C1
InChIInChI=1S/C20H27ClFN3O/c1-2-23-19(25-9-6-20(13-25)7-10-26-11-8-20)24-17-12-14(17)18-15(21)4-3-5-16(18)22/h3-5,14,17H,2,6-13H2,1H3,(H,23,24)
InChIKeyKRLURKKAAVVYQI-UHFFFAOYSA-N
XLogP3.80
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-ethyl-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide 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

N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111456383
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111771894
N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 111346441
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111818745
N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 111346440
3-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109385481
N'-ethyl-N-(2-methylcyclopropyl)-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733119
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111818754
N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
CID 110956792
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111774591
N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111748478
1-[2-(2,6-difluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylethyl)guanidine
CID 111793180

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-ethyl-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-ethyl-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide (CID 119160786) is N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-ethyl-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-ethyl-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-ethyl-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide is CC/N=C(/NC1CC1c1c(F)cccc1Cl)N1CCC2(CCOCC2)C1.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-ethyl-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is KRLURKKAAVVYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClFN3O/c1-2-23-19(25-9-6-20(13-25)7-10-26-11-8-20)24-17-12-14(17)18-15(21)4-3-5-16(18)22/h3-5,14,17H,2,6-13H2,1H3,(H,23,24).
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-ethyl-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide?
N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-ethyl-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 379.91 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-ethyl-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 119160786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).