(1R,4R,6R,9R)-10,10-dichloro-N-cyclohexyltricyclo[7.1.0.04,6]decane-5-carboxamide

C17H25Cl2NO — CID 98349175

IUPAC(1R,4R,6R,9R)-10,10-dichloro-N-cyclohexyltricyclo[7.1.0.04,6]decane-5-carboxamide
SMILESO=C(NC1CCCCC1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl
InChIInChI=1S/C17H25Cl2NO/c18-17(19)13-8-6-11-12(7-9-14(13)17)15(11)16(21)20-10-4-2-1-3-5-10/h10-15H,1-9H2,(H,20,21)/t11-,12-,13-,14-/m1/s1
InChIKeyRGWGQLBFUPUQLE-AAVRWANBSA-N
MW330.30 g/mol
LogP4.29
Rot. Bonds2

About (1R,4R,6R,9R)-10,10-dichloro-N-cyclohexyltricyclo[7.1.0.04,6]decane-5-carboxamide

(1R,4R,6R,9R)-10,10-dichloro-N-cyclohexyltricyclo[7.1.0.04,6]decane-5-carboxamide (PubChem CID 98349175) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is (1R,4R,6R,9R)-10,10-dichloro-N-cyclohexyltricyclo[7.1.0.04,6]decane-5-carboxamide.

Molecular Properties

Compound Name(1R,4R,6R,9R)-10,10-dichloro-N-cyclohexyltricyclo[7.1.0.04,6]decane-5-carboxamide
PubChem CID98349175
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC Name(1R,4R,6R,9R)-10,10-dichloro-N-cyclohexyltricyclo[7.1.0.04,6]decane-5-carboxamide
SMILESO=C(NC1CCCCC1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl
InChIInChI=1S/C17H25Cl2NO/c18-17(19)13-8-6-11-12(7-9-14(13)17)15(11)16(21)20-10-4-2-1-3-5-10/h10-15H,1-9H2,(H,20,21)/t11-,12-,13-,14-/m1/s1
InChIKeyRGWGQLBFUPUQLE-AAVRWANBSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,4R,6R,9R)-10,10-dichloro-N-cyclohexyltricyclo[7.1.0.04,6]decane-5-carboxamide with MolForge

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Related Compounds

N-cyclohexylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600191
(1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide
CID 814819
2,2-dichloro-N-cyclopentylcyclopropane-1-carboxamide
CID 78790788
N-piperidin-4-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride
CID 119388101
(1R,4S,6R,9R)-10,10-dichloro-N-(1,3-thiazol-2-yl)tricyclo[7.1.0.04,6]decane-5-carboxamide
CID 98506991
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81478190
2-N-cycloheptyl-1-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132055
1-N,2-N-dicyclohexylcyclopropane-1,2-dicarboxamide
CID 109132364
N-piperidin-3-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride
CID 119426705

Frequently Asked Questions

What is the IUPAC name of (1R,4R,6R,9R)-10,10-dichloro-N-cyclohexyltricyclo[7.1.0.04,6]decane-5-carboxamide?
The IUPAC name of (1R,4R,6R,9R)-10,10-dichloro-N-cyclohexyltricyclo[7.1.0.04,6]decane-5-carboxamide (CID 98349175) is (1R,4R,6R,9R)-10,10-dichloro-N-cyclohexyltricyclo[7.1.0.04,6]decane-5-carboxamide.
What is the SMILES notation for (1R,4R,6R,9R)-10,10-dichloro-N-cyclohexyltricyclo[7.1.0.04,6]decane-5-carboxamide?
The canonical SMILES for (1R,4R,6R,9R)-10,10-dichloro-N-cyclohexyltricyclo[7.1.0.04,6]decane-5-carboxamide is O=C(NC1CCCCC1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl.
What is the InChIKey of (1R,4R,6R,9R)-10,10-dichloro-N-cyclohexyltricyclo[7.1.0.04,6]decane-5-carboxamide?
The InChIKey is RGWGQLBFUPUQLE-AAVRWANBSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c18-17(19)13-8-6-11-12(7-9-14(13)17)15(11)16(21)20-10-4-2-1-3-5-10/h10-15H,1-9H2,(H,20,21)/t11-,12-,13-,14-/m1/s1.
What are the key properties of (1R,4R,6R,9R)-10,10-dichloro-N-cyclohexyltricyclo[7.1.0.04,6]decane-5-carboxamide?
(1R,4R,6R,9R)-10,10-dichloro-N-cyclohexyltricyclo[7.1.0.04,6]decane-5-carboxamide has a molecular weight of 330.30 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6R,9R)-10,10-dichloro-N-cyclohexyltricyclo[7.1.0.04,6]decane-5-carboxamide is sourced from PubChem (CID 98349175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).