N-[(1R,2R)-2-chlorocyclohexyl]acetamide

C8H14ClNO — CID 12663105

IUPACN-[(1R,2R)-2-chlorocyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCCC[C@H]1Cl
InChIInChI=1S/C8H14ClNO/c1-6(11)10-8-5-3-2-4-7(8)9/h7-8H,2-5H2,1H3,(H,10,11)/t7-,8-/m1/s1
InChIKeyFDJBPALZTFVDEV-HTQZYQBOSA-N
MW175.66 g/mol
LogP1.67
Rot. Bonds1

About N-[(1R,2R)-2-chlorocyclohexyl]acetamide

N-[(1R,2R)-2-chlorocyclohexyl]acetamide (PubChem CID 12663105) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is N-[(1R,2R)-2-chlorocyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-chlorocyclohexyl]acetamide
PubChem CID12663105
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC NameN-[(1R,2R)-2-chlorocyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCCC[C@H]1Cl
InChIInChI=1S/C8H14ClNO/c1-6(11)10-8-5-3-2-4-7(8)9/h7-8H,2-5H2,1H3,(H,10,11)/t7-,8-/m1/s1
InChIKeyFDJBPALZTFVDEV-HTQZYQBOSA-N
XLogP1.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-chlorocyclohexyl]acetamide?
The IUPAC name of N-[(1R,2R)-2-chlorocyclohexyl]acetamide (CID 12663105) is N-[(1R,2R)-2-chlorocyclohexyl]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-chlorocyclohexyl]acetamide?
The canonical SMILES for N-[(1R,2R)-2-chlorocyclohexyl]acetamide is CC(=O)N[C@@H]1CCCC[C@H]1Cl.
What is the InChIKey of N-[(1R,2R)-2-chlorocyclohexyl]acetamide?
The InChIKey is FDJBPALZTFVDEV-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-6(11)10-8-5-3-2-4-7(8)9/h7-8H,2-5H2,1H3,(H,10,11)/t7-,8-/m1/s1.
What are the key properties of N-[(1R,2R)-2-chlorocyclohexyl]acetamide?
N-[(1R,2R)-2-chlorocyclohexyl]acetamide has a molecular weight of 175.66 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-chlorocyclohexyl]acetamide is sourced from PubChem (CID 12663105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).