N,N-dicyclohexyl-2,6-difluorobenzamide

C19H25F2NO — CID 875986

IUPACN,N-dicyclohexyl-2,6-difluorobenzamide
SMILESO=C(c1c(F)cccc1F)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H25F2NO/c20-16-12-7-13-17(21)18(16)19(23)22(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h7,12-15H,1-6,8-11H2
InChIKeyJSPWFVMOAARJJD-UHFFFAOYSA-N
MW321.41 g/mol
LogP5.07
Rot. Bonds3

About N,N-dicyclohexyl-2,6-difluorobenzamide

N,N-dicyclohexyl-2,6-difluorobenzamide (PubChem CID 875986) has the molecular formula C19H25F2NO and a molecular weight of 321.41 g/mol. Its IUPAC name is N,N-dicyclohexyl-2,6-difluorobenzamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2,6-difluorobenzamide
PubChem CID875986
Molecular FormulaC19H25F2NO
Molecular Weight321.41 g/mol
Exact Mass321.19
IUPAC NameN,N-dicyclohexyl-2,6-difluorobenzamide
SMILESO=C(c1c(F)cccc1F)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H25F2NO/c20-16-12-7-13-17(21)18(16)19(23)22(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h7,12-15H,1-6,8-11H2
InChIKeyJSPWFVMOAARJJD-UHFFFAOYSA-N
XLogP5.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.41
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2,6-difluorobenzamide?
The IUPAC name of N,N-dicyclohexyl-2,6-difluorobenzamide (CID 875986) is N,N-dicyclohexyl-2,6-difluorobenzamide.
What is the SMILES notation for N,N-dicyclohexyl-2,6-difluorobenzamide?
The canonical SMILES for N,N-dicyclohexyl-2,6-difluorobenzamide is O=C(c1c(F)cccc1F)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2,6-difluorobenzamide?
The InChIKey is JSPWFVMOAARJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2NO/c20-16-12-7-13-17(21)18(16)19(23)22(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h7,12-15H,1-6,8-11H2.
What are the key properties of N,N-dicyclohexyl-2,6-difluorobenzamide?
N,N-dicyclohexyl-2,6-difluorobenzamide has a molecular weight of 321.41 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2,6-difluorobenzamide is sourced from PubChem (CID 875986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).