5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide

C14H16ClF2NO3 — CID 111744162

IUPAC5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide
SMILESO=C(NC1CCC(O)CC1)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C14H16ClF2NO3/c15-8-1-6-12(21-14(16)17)11(7-8)13(20)18-9-2-4-10(19)5-3-9/h1,6-7,9-10,14,19H,2-5H2,(H,18,20)
InChIKeyHLGPZAFDHLVFCH-UHFFFAOYSA-N
MW319.73 g/mol
LogP2.97
Rot. Bonds4

About 5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide

5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide (PubChem CID 111744162) has the molecular formula C14H16ClF2NO3 and a molecular weight of 319.73 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide
PubChem CID111744162
Molecular FormulaC14H16ClF2NO3
Molecular Weight319.73 g/mol
Exact Mass319.08
IUPAC Name5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide
SMILESO=C(NC1CCC(O)CC1)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C14H16ClF2NO3/c15-8-1-6-12(21-14(16)17)11(7-8)13(20)18-9-2-4-10(19)5-3-9/h1,6-7,9-10,14,19H,2-5H2,(H,18,20)
InChIKeyHLGPZAFDHLVFCH-UHFFFAOYSA-N
XLogP2.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.73
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386862
5-chloro-2-cyclopentyloxy-N-(4-hydroxycyclohexyl)benzamide
CID 111778241
5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide
CID 111969627
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(4-hydroxycyclohexyl)benzamide
CID 25279312
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide
CID 119449786
5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide
CID 119556038
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide
CID 115672955
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride
CID 119455408
N-(2-amino-2-methylpropyl)-5-chloro-2-(difluoromethoxy)benzamide
CID 119626880
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
CID 62313125

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide?
The IUPAC name of 5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide (CID 111744162) is 5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide.
What is the SMILES notation for 5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide?
The canonical SMILES for 5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide is O=C(NC1CCC(O)CC1)c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide?
The InChIKey is HLGPZAFDHLVFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2NO3/c15-8-1-6-12(21-14(16)17)11(7-8)13(20)18-9-2-4-10(19)5-3-9/h1,6-7,9-10,14,19H,2-5H2,(H,18,20).
What are the key properties of 5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide?
5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide has a molecular weight of 319.73 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide is sourced from PubChem (CID 111744162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).