N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide

C24H26F4N2O2 — CID 4142011

IUPACN-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide
SMILESCC1(C)CC(NC(=O)c2ccc(F)cc2F)CC(C)(CNC(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C24H26F4N2O2/c1-23(2)10-16(30-22(32)18-7-5-15(26)9-20(18)28)11-24(3,12-23)13-29-21(31)17-6-4-14(25)8-19(17)27/h4-9,16H,10-13H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyANGWECVFEGNQEC-UHFFFAOYSA-N
MW450.48 g/mol
LogP4.99
Rot. Bonds5

About N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide

N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide (PubChem CID 4142011) has the molecular formula C24H26F4N2O2 and a molecular weight of 450.48 g/mol. Its IUPAC name is N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide
PubChem CID4142011
Molecular FormulaC24H26F4N2O2
Molecular Weight450.48 g/mol
Exact Mass450.19
IUPAC NameN-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide
SMILESCC1(C)CC(NC(=O)c2ccc(F)cc2F)CC(C)(CNC(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C24H26F4N2O2/c1-23(2)10-16(30-22(32)18-7-5-15(26)9-20(18)28)11-24(3,12-23)13-29-21(31)17-6-4-14(25)8-19(17)27/h4-9,16H,10-13H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyANGWECVFEGNQEC-UHFFFAOYSA-N
XLogP4.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide with MolForge

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Related Compounds

3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 7427818
2,4-difluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 37031230
2-chloro-N-[[(1R,5S)-5-[(2-chlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 40738067
3-chloro-N-[[(1R,5R)-5-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 98389190
2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide
CID 25387928
2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 4676998
5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide
CID 40601347
N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 3996775
2-(2-methylphenyl)-N-[[(1R,5S)-1,3,3-trimethyl-5-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]cyclohexyl]methyl]quinoline-4-carboxamide
CID 40732776
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103722151
5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103966065

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide?
The IUPAC name of N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide (CID 4142011) is N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide is CC1(C)CC(NC(=O)c2ccc(F)cc2F)CC(C)(CNC(=O)c2ccc(F)cc2F)C1.
What is the InChIKey of N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide?
The InChIKey is ANGWECVFEGNQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N2O2/c1-23(2)10-16(30-22(32)18-7-5-15(26)9-20(18)28)11-24(3,12-23)13-29-21(31)17-6-4-14(25)8-19(17)27/h4-9,16H,10-13H2,1-3H3,(H,29,31)(H,30,32).
What are the key properties of N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide?
N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide has a molecular weight of 450.48 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide is sourced from PubChem (CID 4142011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).