N-(2-chlorocyclohexyl)-2-(2-fluorophenyl)-N-methylacetamide

C15H19ClFNO — CID 102638052

IUPACN-(2-chlorocyclohexyl)-2-(2-fluorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccccc1F)C1CCCCC1Cl
InChIInChI=1S/C15H19ClFNO/c1-18(14-9-5-3-7-12(14)16)15(19)10-11-6-2-4-8-13(11)17/h2,4,6,8,12,14H,3,5,7,9-10H2,1H3
InChIKeyKUZPPFIKLQOODU-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.38
Rot. Bonds3

About N-(2-chlorocyclohexyl)-2-(2-fluorophenyl)-N-methylacetamide

N-(2-chlorocyclohexyl)-2-(2-fluorophenyl)-N-methylacetamide (PubChem CID 102638052) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-2-(2-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-2-(2-fluorophenyl)-N-methylacetamide
PubChem CID102638052
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC NameN-(2-chlorocyclohexyl)-2-(2-fluorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccccc1F)C1CCCCC1Cl
InChIInChI=1S/C15H19ClFNO/c1-18(14-9-5-3-7-12(14)16)15(19)10-11-6-2-4-8-13(11)17/h2,4,6,8,12,14H,3,5,7,9-10H2,1H3
InChIKeyKUZPPFIKLQOODU-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorocyclohexyl)-2-(2,3-difluorophenyl)-N-methylacetamide
CID 102638196
2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide
CID 102637966
2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide
CID 71910234
N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide
CID 102872699
N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methyl-2-naphthalen-1-ylacetamide
CID 70604955
N-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide
CID 102638215
2-(2-chlorophenyl)-N-cyclopentyl-N-methylacetamide
CID 166712612
4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide
CID 102638083
1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide
CID 19061841
(2S)-N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100559703
N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 80659219
2-(3,4-difluorophenyl)-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
CID 165362286

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-2-(2-fluorophenyl)-N-methylacetamide?
The IUPAC name of N-(2-chlorocyclohexyl)-2-(2-fluorophenyl)-N-methylacetamide (CID 102638052) is N-(2-chlorocyclohexyl)-2-(2-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-2-(2-fluorophenyl)-N-methylacetamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-2-(2-fluorophenyl)-N-methylacetamide is CN(C(=O)Cc1ccccc1F)C1CCCCC1Cl.
What is the InChIKey of N-(2-chlorocyclohexyl)-2-(2-fluorophenyl)-N-methylacetamide?
The InChIKey is KUZPPFIKLQOODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-18(14-9-5-3-7-12(14)16)15(19)10-11-6-2-4-8-13(11)17/h2,4,6,8,12,14H,3,5,7,9-10H2,1H3.
What are the key properties of N-(2-chlorocyclohexyl)-2-(2-fluorophenyl)-N-methylacetamide?
N-(2-chlorocyclohexyl)-2-(2-fluorophenyl)-N-methylacetamide has a molecular weight of 283.77 g/mol, XLogP of 3.38, 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-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 102638052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).