1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide

C22H22F4N2O2 — CID 167980780

IUPAC1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
SMILESCN(C(=O)C1CCC(C(=O)N(C)c2ccc(F)c(F)c2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H22F4N2O2/c1-27(15-7-9-17(23)19(25)11-15)21(29)13-3-5-14(6-4-13)22(30)28(2)16-8-10-18(24)20(26)12-16/h7-14H,3-6H2,1-2H3
InChIKeyQENXYFGQHQYYQV-UHFFFAOYSA-N
MW422.42 g/mol
LogP4.68
Rot. Bonds4

About 1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide

1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide (PubChem CID 167980780) has the molecular formula C22H22F4N2O2 and a molecular weight of 422.42 g/mol. Its IUPAC name is 1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
PubChem CID167980780
Molecular FormulaC22H22F4N2O2
Molecular Weight422.42 g/mol
Exact Mass422.16
IUPAC Name1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
SMILESCN(C(=O)C1CCC(C(=O)N(C)c2ccc(F)c(F)c2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H22F4N2O2/c1-27(15-7-9-17(23)19(25)11-15)21(29)13-3-5-14(6-4-13)22(30)28(2)16-8-10-18(24)20(26)12-16/h7-14H,3-6H2,1-2H3
InChIKeyQENXYFGQHQYYQV-UHFFFAOYSA-N
XLogP4.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide (CID 167980780) is 1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide is CN(C(=O)C1CCC(C(=O)N(C)c2ccc(F)c(F)c2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide?
The InChIKey is QENXYFGQHQYYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N2O2/c1-27(15-7-9-17(23)19(25)11-15)21(29)13-3-5-14(6-4-13)22(30)28(2)16-8-10-18(24)20(26)12-16/h7-14H,3-6H2,1-2H3.
What are the key properties of 1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide?
1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide has a molecular weight of 422.42 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 167980780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).