2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide

C14H16Cl2FNO — CID 102637966

IUPAC2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1c(F)cccc1Cl)C1CCCCC1Cl
InChIInChI=1S/C14H16Cl2FNO/c1-18(12-8-3-2-5-9(12)15)14(19)13-10(16)6-4-7-11(13)17/h4,6-7,9,12H,2-3,5,8H2,1H3
InChIKeyYTRGUQDUVCPFPR-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.10
Rot. Bonds2

About 2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide

2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide (PubChem CID 102637966) has the molecular formula C14H16Cl2FNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide
PubChem CID102637966
Molecular FormulaC14H16Cl2FNO
Molecular Weight304.19 g/mol
Exact Mass303.06
IUPAC Name2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1c(F)cccc1Cl)C1CCCCC1Cl
InChIInChI=1S/C14H16Cl2FNO/c1-18(12-8-3-2-5-9(12)15)14(19)13-10(16)6-4-7-11(13)17/h4,6-7,9,12H,2-3,5,8H2,1H3
InChIKeyYTRGUQDUVCPFPR-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.10
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

4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide
CID 102638083
N-(2-chlorocyclohexyl)-2-(2,3-difluorophenyl)-N-methylacetamide
CID 102638196
N-(2-chlorocyclohexyl)-2-(2-fluorophenyl)-N-methylacetamide
CID 102638052
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107015942
N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide
CID 102637885
N-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide
CID 102638292
5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide
CID 106690219
2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 115759842
2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide
CID 110279243
(2S)-2-[2-(2-chloro-6-fluorobenzoyl)-2-(cyclohexanecarbonyl)hydrazinyl]propanoic acid
CID 68821028
2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide
CID 102634808
2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide
CID 63394963

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide?
The IUPAC name of 2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide (CID 102637966) is 2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide?
The canonical SMILES for 2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide is CN(C(=O)c1c(F)cccc1Cl)C1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide?
The InChIKey is YTRGUQDUVCPFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2FNO/c1-18(12-8-3-2-5-9(12)15)14(19)13-10(16)6-4-7-11(13)17/h4,6-7,9,12H,2-3,5,8H2,1H3.
What are the key properties of 2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide?
2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide has a molecular weight of 304.19 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide is sourced from PubChem (CID 102637966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).