2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide

C17H23Cl2NO — CID 6932663

IUPAC2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide
SMILESCC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H23Cl2NO/c1-10(2)12-8-7-11(3)9-15(12)20-17(21)16-13(18)5-4-6-14(16)19/h4-6,10-12,15H,7-9H2,1-3H3,(H,20,21)/t11-,12-,15+/m0/s1
InChIKeySFTIRRHUYMDLOA-SLEUVZQESA-N
MW328.28 g/mol
LogP5.18
Rot. Bonds3

About 2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide

2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide (PubChem CID 6932663) has the molecular formula C17H23Cl2NO and a molecular weight of 328.28 g/mol. Its IUPAC name is 2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide
PubChem CID6932663
Molecular FormulaC17H23Cl2NO
Molecular Weight328.28 g/mol
Exact Mass327.12
IUPAC Name2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide
SMILESCC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H23Cl2NO/c1-10(2)12-8-7-11(3)9-15(12)20-17(21)16-13(18)5-4-6-14(16)19/h4-6,10-12,15H,7-9H2,1-3H3,(H,20,21)/t11-,12-,15+/m0/s1
InChIKeySFTIRRHUYMDLOA-SLEUVZQESA-N
XLogP5.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.28
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide
CID 66482936
N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide
CID 126621339
5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 63483142
2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 61214396
2-(methylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 63552614
N-[(2,6-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710184
N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide
CID 47350810
N-(5-methyl-2-propan-2-ylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47234721
4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide
CID 80536614
2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 107951942
N-(5-methyl-2-propan-2-ylcyclohexyl)-1H-indazole-7-carboxamide
CID 60547804
1-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylthiourea
CID 6585213

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide (CID 6932663) is 2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide is CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide?
The InChIKey is SFTIRRHUYMDLOA-SLEUVZQESA-N. The full InChI is InChI=1S/C17H23Cl2NO/c1-10(2)12-8-7-11(3)9-15(12)20-17(21)16-13(18)5-4-6-14(16)19/h4-6,10-12,15H,7-9H2,1-3H3,(H,20,21)/t11-,12-,15+/m0/s1.
What are the key properties of 2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide?
2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide has a molecular weight of 328.28 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide is sourced from PubChem (CID 6932663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).