2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide

C24H26Cl4N2O2 — CID 4676998

IUPAC2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
SMILESCC1(C)CC(NC(=O)c2c(Cl)cccc2Cl)CC(C)(CNC(=O)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C24H26Cl4N2O2/c1-23(2)10-14(30-22(32)20-17(27)8-5-9-18(20)28)11-24(3,12-23)13-29-21(31)19-15(25)6-4-7-16(19)26/h4-9,14H,10-13H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyFEIYMUDQBTWJIY-UHFFFAOYSA-N
MW516.30 g/mol
LogP7.05
Rot. Bonds5

About 2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide

2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide (PubChem CID 4676998) has the molecular formula C24H26Cl4N2O2 and a molecular weight of 516.30 g/mol. Its IUPAC name is 2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
PubChem CID4676998
Molecular FormulaC24H26Cl4N2O2
Molecular Weight516.30 g/mol
Exact Mass514.07
IUPAC Name2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
SMILESCC1(C)CC(NC(=O)c2c(Cl)cccc2Cl)CC(C)(CNC(=O)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C24H26Cl4N2O2/c1-23(2)10-14(30-22(32)20-17(27)8-5-9-18(20)28)11-24(3,12-23)13-29-21(31)19-15(25)6-4-7-16(19)26/h4-9,14H,10-13H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyFEIYMUDQBTWJIY-UHFFFAOYSA-N
XLogP7.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.30
LogP ≤ 57.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide with MolForge

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Related Compounds

2-chloro-N-[[(1R,5S)-5-[(2-chlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 40738067
N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide
CID 1009025
3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 7427818
5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide
CID 40601347
N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide
CID 4142011
N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 3996775
phenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate
CID 121431628
2-amino-3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965097
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
3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide
CID 4050363
[3-[[(2,6-dimethylphenoxy)carbothioylamino]methyl]-3,5,5-trimethylcyclohexyl]carbamic acid
CID 118643317

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide (CID 4676998) is 2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide is CC1(C)CC(NC(=O)c2c(Cl)cccc2Cl)CC(C)(CNC(=O)c2c(Cl)cccc2Cl)C1.
What is the InChIKey of 2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide?
The InChIKey is FEIYMUDQBTWJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl4N2O2/c1-23(2)10-14(30-22(32)20-17(27)8-5-9-18(20)28)11-24(3,12-23)13-29-21(31)19-15(25)6-4-7-16(19)26/h4-9,14H,10-13H2,1-3H3,(H,29,31)(H,30,32).
What are the key properties of 2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide?
2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide has a molecular weight of 516.30 g/mol, XLogP of 7.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide is sourced from PubChem (CID 4676998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).