2-chloro-4-fluoro-N-(2-methoxyethyl)-5-methylidenecyclohexane-1-carboxamide

C11H17ClFNO2 — CID 91580238

IUPAC2-chloro-4-fluoro-N-(2-methoxyethyl)-5-methylidenecyclohexane-1-carboxamide
SMILESC=C1CC(C(=O)NCCOC)C(Cl)CC1F
InChIInChI=1S/C11H17ClFNO2/c1-7-5-8(9(12)6-10(7)13)11(15)14-3-4-16-2/h8-10H,1,3-6H2,2H3,(H,14,15)
InChIKeyVKEYZOKSUJBJOC-UHFFFAOYSA-N
MW249.71 g/mol
LogP1.66
Rot. Bonds4

About 2-chloro-4-fluoro-N-(2-methoxyethyl)-5-methylidenecyclohexane-1-carboxamide

2-chloro-4-fluoro-N-(2-methoxyethyl)-5-methylidenecyclohexane-1-carboxamide (PubChem CID 91580238) has the molecular formula C11H17ClFNO2 and a molecular weight of 249.71 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-methoxyethyl)-5-methylidenecyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-methoxyethyl)-5-methylidenecyclohexane-1-carboxamide
PubChem CID91580238
Molecular FormulaC11H17ClFNO2
Molecular Weight249.71 g/mol
Exact Mass249.09
IUPAC Name2-chloro-4-fluoro-N-(2-methoxyethyl)-5-methylidenecyclohexane-1-carboxamide
SMILESC=C1CC(C(=O)NCCOC)C(Cl)CC1F
InChIInChI=1S/C11H17ClFNO2/c1-7-5-8(9(12)6-10(7)13)11(15)14-3-4-16-2/h8-10H,1,3-6H2,2H3,(H,14,15)
InChIKeyVKEYZOKSUJBJOC-UHFFFAOYSA-N
XLogP1.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-chloro-4-fluoro-N-(2-methoxyethyl)-5-methylidenecyclohexane-1-carboxamide 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-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974198
1-N-cyclopentyl-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109131989
N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689650
1-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133083
2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109133081
1-N-(2,4-difluorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133061
1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133069
1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109132998
N-(2-methoxyethyl)-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681278
N-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132906
2-N-(2-methoxyethyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109132921
1-N-(2-ethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109132991

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-methoxyethyl)-5-methylidenecyclohexane-1-carboxamide?
The IUPAC name of 2-chloro-4-fluoro-N-(2-methoxyethyl)-5-methylidenecyclohexane-1-carboxamide (CID 91580238) is 2-chloro-4-fluoro-N-(2-methoxyethyl)-5-methylidenecyclohexane-1-carboxamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-methoxyethyl)-5-methylidenecyclohexane-1-carboxamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-methoxyethyl)-5-methylidenecyclohexane-1-carboxamide is C=C1CC(C(=O)NCCOC)C(Cl)CC1F.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-methoxyethyl)-5-methylidenecyclohexane-1-carboxamide?
The InChIKey is VKEYZOKSUJBJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFNO2/c1-7-5-8(9(12)6-10(7)13)11(15)14-3-4-16-2/h8-10H,1,3-6H2,2H3,(H,14,15).
What are the key properties of 2-chloro-4-fluoro-N-(2-methoxyethyl)-5-methylidenecyclohexane-1-carboxamide?
2-chloro-4-fluoro-N-(2-methoxyethyl)-5-methylidenecyclohexane-1-carboxamide has a molecular weight of 249.71 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2-methoxyethyl)-5-methylidenecyclohexane-1-carboxamide is sourced from PubChem (CID 91580238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).