methyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate

C16H19ClFNO3 — CID 108745251

IUPACmethyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H19ClFNO3/c1-22-16(21)11-6-3-2-5-10(11)9-19-15(20)14-12(17)7-4-8-13(14)18/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,19,20)
InChIKeyUDLIOYDAPBZVEK-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.19
Rot. Bonds4

About methyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate

methyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate (PubChem CID 108745251) has the molecular formula C16H19ClFNO3 and a molecular weight of 327.78 g/mol. Its IUPAC name is methyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate
PubChem CID108745251
Molecular FormulaC16H19ClFNO3
Molecular Weight327.78 g/mol
Exact Mass327.10
IUPAC Namemethyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H19ClFNO3/c1-22-16(21)11-6-3-2-5-10(11)9-19-15(20)14-12(17)7-4-8-13(14)18/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,19,20)
InChIKeyUDLIOYDAPBZVEK-UHFFFAOYSA-N
XLogP3.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[(3,6-dichloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745195
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide
CID 114317426
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
2-fluoro-N-[(2-hydroxycyclohexyl)methyl]-6-methoxybenzamide
CID 65433466
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-fluoro-6-hydroxy-N-[(2-methylcyclohexyl)methyl]benzamide
CID 107015192
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106364539
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493
2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide
CID 110279243

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate (CID 108745251) is methyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate is COC(=O)C1CCCCC1CNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of methyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is UDLIOYDAPBZVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO3/c1-22-16(21)11-6-3-2-5-10(11)9-19-15(20)14-12(17)7-4-8-13(14)18/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,19,20).
What are the key properties of methyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate?
methyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 327.78 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 108745251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).