2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide

C16H20Cl2FNO — CID 114307086

IUPAC2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCC1CCCCC1CCl
InChIInChI=1S/C16H20Cl2FNO/c17-9-11-4-1-2-5-12(11)10-20-16(21)8-13-14(18)6-3-7-15(13)19/h3,6-7,11-12H,1-2,4-5,8-10H2,(H,20,21)
InChIKeySPCRPTXOZXMMQP-UHFFFAOYSA-N
MW332.25 g/mol
LogP4.18
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide (PubChem CID 114307086) has the molecular formula C16H20Cl2FNO and a molecular weight of 332.25 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide
PubChem CID114307086
Molecular FormulaC16H20Cl2FNO
Molecular Weight332.25 g/mol
Exact Mass331.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCC1CCCCC1CCl
InChIInChI=1S/C16H20Cl2FNO/c17-9-11-4-1-2-5-12(11)10-20-16(21)8-13-14(18)6-3-7-15(13)19/h3,6-7,11-12H,1-2,4-5,8-10H2,(H,20,21)
InChIKeySPCRPTXOZXMMQP-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114317207
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
N-[(3-chlorocyclopentyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 106126488
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide
CID 113273831
N-(4-chlorocyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 114297195
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide
CID 99873881
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide
CID 114317426
4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114306984
2-(2-chloro-6-fluorophenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142509
2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
CID 107233350
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114758055
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide
CID 114317365

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide (CID 114307086) is 2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide is O=C(Cc1c(F)cccc1Cl)NCC1CCCCC1CCl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide?
The InChIKey is SPCRPTXOZXMMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2FNO/c17-9-11-4-1-2-5-12(11)10-20-16(21)8-13-14(18)6-3-7-15(13)19/h3,6-7,11-12H,1-2,4-5,8-10H2,(H,20,21).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide has a molecular weight of 332.25 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 114307086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).