N-(2-chlorocyclohexyl)-2-(2,3-difluorophenyl)-N-methylacetamide

C15H18ClF2NO — CID 102638196

IUPACN-(2-chlorocyclohexyl)-2-(2,3-difluorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1cccc(F)c1F)C1CCCCC1Cl
InChIInChI=1S/C15H18ClF2NO/c1-19(13-8-3-2-6-11(13)16)14(20)9-10-5-4-7-12(17)15(10)18/h4-5,7,11,13H,2-3,6,8-9H2,1H3
InChIKeyMVEOIQHIUPTCLF-UHFFFAOYSA-N
MW301.76 g/mol
LogP3.52
Rot. Bonds3

About N-(2-chlorocyclohexyl)-2-(2,3-difluorophenyl)-N-methylacetamide

N-(2-chlorocyclohexyl)-2-(2,3-difluorophenyl)-N-methylacetamide (PubChem CID 102638196) has the molecular formula C15H18ClF2NO and a molecular weight of 301.76 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-2-(2,3-difluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-2-(2,3-difluorophenyl)-N-methylacetamide
PubChem CID102638196
Molecular FormulaC15H18ClF2NO
Molecular Weight301.76 g/mol
Exact Mass301.10
IUPAC NameN-(2-chlorocyclohexyl)-2-(2,3-difluorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1cccc(F)c1F)C1CCCCC1Cl
InChIInChI=1S/C15H18ClF2NO/c1-19(13-8-3-2-6-11(13)16)14(20)9-10-5-4-7-12(17)15(10)18/h4-5,7,11,13H,2-3,6,8-9H2,1H3
InChIKeyMVEOIQHIUPTCLF-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-2-(2,3-difluorophenyl)-N-methylacetamide?
The IUPAC name of N-(2-chlorocyclohexyl)-2-(2,3-difluorophenyl)-N-methylacetamide (CID 102638196) is N-(2-chlorocyclohexyl)-2-(2,3-difluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-2-(2,3-difluorophenyl)-N-methylacetamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-2-(2,3-difluorophenyl)-N-methylacetamide is CN(C(=O)Cc1cccc(F)c1F)C1CCCCC1Cl.
What is the InChIKey of N-(2-chlorocyclohexyl)-2-(2,3-difluorophenyl)-N-methylacetamide?
The InChIKey is MVEOIQHIUPTCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF2NO/c1-19(13-8-3-2-6-11(13)16)14(20)9-10-5-4-7-12(17)15(10)18/h4-5,7,11,13H,2-3,6,8-9H2,1H3.
What are the key properties of N-(2-chlorocyclohexyl)-2-(2,3-difluorophenyl)-N-methylacetamide?
N-(2-chlorocyclohexyl)-2-(2,3-difluorophenyl)-N-methylacetamide has a molecular weight of 301.76 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-2-(2,3-difluorophenyl)-N-methylacetamide is sourced from PubChem (CID 102638196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).