2,3-dichloro-N-[[4,4-difluoro-1-(4-methylimidazol-1-yl)cyclohexyl]methyl]benzamide

C18H19Cl2F2N3O — CID 86716406

IUPAC2,3-dichloro-N-[[4,4-difluoro-1-(4-methylimidazol-1-yl)cyclohexyl]methyl]benzamide
SMILESCc1cn(C2(CNC(=O)c3cccc(Cl)c3Cl)CCC(F)(F)CC2)cn1
InChIInChI=1S/C18H19Cl2F2N3O/c1-12-9-25(11-24-12)17(5-7-18(21,22)8-6-17)10-23-16(26)13-3-2-4-14(19)15(13)20/h2-4,9,11H,5-8,10H2,1H3,(H,23,26)
InChIKeyLOTSHGCIIJLZMR-UHFFFAOYSA-N
MW402.27 g/mol
LogP4.83
Rot. Bonds4

About 2,3-dichloro-N-[[4,4-difluoro-1-(4-methylimidazol-1-yl)cyclohexyl]methyl]benzamide

2,3-dichloro-N-[[4,4-difluoro-1-(4-methylimidazol-1-yl)cyclohexyl]methyl]benzamide (PubChem CID 86716406) has the molecular formula C18H19Cl2F2N3O and a molecular weight of 402.27 g/mol. Its IUPAC name is 2,3-dichloro-N-[[4,4-difluoro-1-(4-methylimidazol-1-yl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[[4,4-difluoro-1-(4-methylimidazol-1-yl)cyclohexyl]methyl]benzamide
PubChem CID86716406
Molecular FormulaC18H19Cl2F2N3O
Molecular Weight402.27 g/mol
Exact Mass401.09
IUPAC Name2,3-dichloro-N-[[4,4-difluoro-1-(4-methylimidazol-1-yl)cyclohexyl]methyl]benzamide
SMILESCc1cn(C2(CNC(=O)c3cccc(Cl)c3Cl)CCC(F)(F)CC2)cn1
InChIInChI=1S/C18H19Cl2F2N3O/c1-12-9-25(11-24-12)17(5-7-18(21,22)8-6-17)10-23-16(26)13-3-2-4-14(19)15(13)20/h2-4,9,11H,5-8,10H2,1H3,(H,23,26)
InChIKeyLOTSHGCIIJLZMR-UHFFFAOYSA-N
XLogP4.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.27
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
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CID 19322901
2-chloro-N-[[4,4-difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]-4-fluorobenzamide
CID 54764014
2,6-dichloro-N-[[4,4-difluoro-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 89482512
1-[2-[(2,3-dichlorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496859
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CID 107100287
4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
CID 121393263
2,3-dichloro-N-[1-oxo-1-[(1-thiomorpholin-4-ylcyclopentyl)methylamino]propan-2-yl]benzamide
CID 55749182
3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide
CID 114189517
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 107097792
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[[4,4-difluoro-1-(4-methylimidazol-1-yl)cyclohexyl]methyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[[4,4-difluoro-1-(4-methylimidazol-1-yl)cyclohexyl]methyl]benzamide (CID 86716406) is 2,3-dichloro-N-[[4,4-difluoro-1-(4-methylimidazol-1-yl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[[4,4-difluoro-1-(4-methylimidazol-1-yl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[[4,4-difluoro-1-(4-methylimidazol-1-yl)cyclohexyl]methyl]benzamide is Cc1cn(C2(CNC(=O)c3cccc(Cl)c3Cl)CCC(F)(F)CC2)cn1.
What is the InChIKey of 2,3-dichloro-N-[[4,4-difluoro-1-(4-methylimidazol-1-yl)cyclohexyl]methyl]benzamide?
The InChIKey is LOTSHGCIIJLZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2F2N3O/c1-12-9-25(11-24-12)17(5-7-18(21,22)8-6-17)10-23-16(26)13-3-2-4-14(19)15(13)20/h2-4,9,11H,5-8,10H2,1H3,(H,23,26).
What are the key properties of 2,3-dichloro-N-[[4,4-difluoro-1-(4-methylimidazol-1-yl)cyclohexyl]methyl]benzamide?
2,3-dichloro-N-[[4,4-difluoro-1-(4-methylimidazol-1-yl)cyclohexyl]methyl]benzamide has a molecular weight of 402.27 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[[4,4-difluoro-1-(4-methylimidazol-1-yl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 86716406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).