1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide

C24H20F10N2O2 — CID 5018753

IUPAC1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)C1(F)C(F)(F)C(F)(F)C(F)(C(=O)N(C)Cc2ccccc2)C(F)(F)C1(F)F
InChIInChI=1S/C24H20F10N2O2/c1-35(13-15-9-5-3-6-10-15)17(37)19(25)21(27,28)23(31,32)20(26,24(33,34)22(19,29)30)18(38)36(2)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyZZUOQKYMTZSYRU-UHFFFAOYSA-N
MW558.42 g/mol
LogP5.28
Rot. Bonds6

About 1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide

1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide (PubChem CID 5018753) has the molecular formula C24H20F10N2O2 and a molecular weight of 558.42 g/mol. Its IUPAC name is 1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
PubChem CID5018753
Molecular FormulaC24H20F10N2O2
Molecular Weight558.42 g/mol
Exact Mass558.14
IUPAC Name1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)C1(F)C(F)(F)C(F)(F)C(F)(C(=O)N(C)Cc2ccccc2)C(F)(F)C1(F)F
InChIInChI=1S/C24H20F10N2O2/c1-35(13-15-9-5-3-6-10-15)17(37)19(25)21(27,28)23(31,32)20(26,24(33,34)22(19,29)30)18(38)36(2)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyZZUOQKYMTZSYRU-UHFFFAOYSA-N
XLogP5.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.42
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide with MolForge

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Related Compounds

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CID 71857199
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fluoro N-benzyl-N-methylcarbamate
CID 144758254
1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea
CID 70519358
1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide
CID 108975527
3-[benzyl(methyl)amino]-2,3-dioxopropanoic acid
CID 130891258
4-amino-N-benzyl-N-methyloxane-4-carboxamide
CID 115293535
N-benzyl-2-chloro-N-methyl-3-phenylazirine-2-carboxamide
CID 177492876
N-benzyl-2,2,3,3,3-pentafluoro-N-methylpropanamide
CID 91699922
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
N-benzyl-N-methylprop-2-ynamide
CID 87311570
N-benzyl-N-methyl-2-oxo-2-phenylacetamide
CID 15890511

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide (CID 5018753) is 1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide is CN(Cc1ccccc1)C(=O)C1(F)C(F)(F)C(F)(F)C(F)(C(=O)N(C)Cc2ccccc2)C(F)(F)C1(F)F.
What is the InChIKey of 1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide?
The InChIKey is ZZUOQKYMTZSYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F10N2O2/c1-35(13-15-9-5-3-6-10-15)17(37)19(25)21(27,28)23(31,32)20(26,24(33,34)22(19,29)30)18(38)36(2)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3.
What are the key properties of 1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide?
1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide has a molecular weight of 558.42 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 5018753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).