3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide

C11H20ClNO2 — CID 107216789

IUPAC3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H20ClNO2/c1-11(2,7-12)10(15)13-8-5-3-4-6-9(8)14/h8-9,14H,3-7H2,1-2H3,(H,13,15)/t8-,9-/m1/s1
InChIKeySHWHHJRVLYANPV-RKDXNWHRSA-N
MW233.74 g/mol
LogP1.67
Rot. Bonds3

About 3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide

3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide (PubChem CID 107216789) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
PubChem CID107216789
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H20ClNO2/c1-11(2,7-12)10(15)13-8-5-3-4-6-9(8)14/h8-9,14H,3-7H2,1-2H3,(H,13,15)/t8-,9-/m1/s1
InChIKeySHWHHJRVLYANPV-RKDXNWHRSA-N
XLogP1.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
CID 94415384
3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide
CID 63680548
2-(ethylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide
CID 94878499
3-chloro-N-cyclobutyl-2,2-dimethylpropanamide
CID 63664456
3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide
CID 65267153
2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
CID 40538955
2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpentanamide
CID 107222009
2,2,2-trifluoro-N-(2-hydroxycyclohexyl)acetamide
CID 62360896
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 62358678
3-chloro-N-(2,4-dimethylcyclohexyl)-2,2-dimethylpropanamide
CID 63995507
2-cyano-N-(2-hydroxycycloheptyl)-2-methylbutanamide
CID 113394780

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide (CID 107216789) is 3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide?
The InChIKey is SHWHHJRVLYANPV-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-11(2,7-12)10(15)13-8-5-3-4-6-9(8)14/h8-9,14H,3-7H2,1-2H3,(H,13,15)/t8-,9-/m1/s1.
What are the key properties of 3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide?
3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide has a molecular weight of 233.74 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 107216789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).