(1R)-2,2-dichloro-1-methyl-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide

C14H23Cl2NO — CID 6571789

IUPAC(1R)-2,2-dichloro-1-methyl-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)CC(C)(C)C1
InChIInChI=1S/C14H23Cl2NO/c1-9-5-10(7-12(2,3)6-9)17-11(18)13(4)8-14(13,15)16/h9-10H,5-8H2,1-4H3,(H,17,18)/t9-,10-,13+/m0/s1
InChIKeyRJOWTKXJOABMPB-OUJBWJOFSA-N
MW292.25 g/mol
LogP3.90
Rot. Bonds2

About (1R)-2,2-dichloro-1-methyl-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide

(1R)-2,2-dichloro-1-methyl-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide (PubChem CID 6571789) has the molecular formula C14H23Cl2NO and a molecular weight of 292.25 g/mol. Its IUPAC name is (1R)-2,2-dichloro-1-methyl-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dichloro-1-methyl-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide
PubChem CID6571789
Molecular FormulaC14H23Cl2NO
Molecular Weight292.25 g/mol
Exact Mass291.12
IUPAC Name(1R)-2,2-dichloro-1-methyl-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)CC(C)(C)C1
InChIInChI=1S/C14H23Cl2NO/c1-9-5-10(7-12(2,3)6-9)17-11(18)13(4)8-14(13,15)16/h9-10H,5-8H2,1-4H3,(H,17,18)/t9-,10-,13+/m0/s1
InChIKeyRJOWTKXJOABMPB-OUJBWJOFSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2,2-dibromo-1-methyl-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide
CID 51405048
(1R)-2,2-dibromo-1-methyl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide
CID 27520887
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
CID 67074228
2,2-dichloro-N-cyclooctyl-1-methylcyclopropane-1-carboxamide
CID 4577033
N'-(3,3,5-trimethylcyclohexyl)butanediamide
CID 121317359
1-[(1R,5S)-3,3,5-trimethylcyclohexyl]-3-[6-[[(1R,5S)-3,3,5-trimethylcyclohexyl]carbamoylamino]hexyl]urea
CID 25406909
1-[(1R,5S)-3,3,5-trimethylcyclohexyl]-3-[6-[[(1R,5R)-3,3,5-trimethylcyclohexyl]carbamoylamino]hexyl]urea
CID 25406912
2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 831549
cis-(1R,2S)-2-[[(1S,5S)-3,3,5-trimethylcyclohexyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124714504
2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673817
4-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673806
N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 39358749

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dichloro-1-methyl-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dichloro-1-methyl-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide (CID 6571789) is (1R)-2,2-dichloro-1-methyl-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dichloro-1-methyl-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dichloro-1-methyl-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide is C[C@H]1C[C@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)CC(C)(C)C1.
What is the InChIKey of (1R)-2,2-dichloro-1-methyl-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide?
The InChIKey is RJOWTKXJOABMPB-OUJBWJOFSA-N. The full InChI is InChI=1S/C14H23Cl2NO/c1-9-5-10(7-12(2,3)6-9)17-11(18)13(4)8-14(13,15)16/h9-10H,5-8H2,1-4H3,(H,17,18)/t9-,10-,13+/m0/s1.
What are the key properties of (1R)-2,2-dichloro-1-methyl-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide?
(1R)-2,2-dichloro-1-methyl-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide has a molecular weight of 292.25 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dichloro-1-methyl-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 6571789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).