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

C10H16ClNO2 — CID 13273722

IUPACN-acetyl-N-[(1R,2R)-2-chlorocyclohexyl]acetamide
SMILESCC(=O)N(C(C)=O)[C@@H]1CCCC[C@H]1Cl
InChIInChI=1S/C10H16ClNO2/c1-7(13)12(8(2)14)10-6-4-3-5-9(10)11/h9-10H,3-6H2,1-2H3/t9-,10-/m1/s1
InChIKeyCXRNSDAFXYVMSK-NXEZZACHSA-N
MW217.70 g/mol
LogP1.93
Rot. Bonds1

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

N-acetyl-N-[(1R,2R)-2-chlorocyclohexyl]acetamide (PubChem CID 13273722) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is N-acetyl-N-[(1R,2R)-2-chlorocyclohexyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[(1R,2R)-2-chlorocyclohexyl]acetamide
PubChem CID13273722
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC NameN-acetyl-N-[(1R,2R)-2-chlorocyclohexyl]acetamide
SMILESCC(=O)N(C(C)=O)[C@@H]1CCCC[C@H]1Cl
InChIInChI=1S/C10H16ClNO2/c1-7(13)12(8(2)14)10-6-4-3-5-9(10)11/h9-10H,3-6H2,1-2H3/t9-,10-/m1/s1
InChIKeyCXRNSDAFXYVMSK-NXEZZACHSA-N
XLogP1.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-acetyl-N-[(1R,2R)-2-chlorocyclohexyl]acetamide?
The IUPAC name of N-acetyl-N-[(1R,2R)-2-chlorocyclohexyl]acetamide (CID 13273722) is N-acetyl-N-[(1R,2R)-2-chlorocyclohexyl]acetamide.
What is the SMILES notation for N-acetyl-N-[(1R,2R)-2-chlorocyclohexyl]acetamide?
The canonical SMILES for N-acetyl-N-[(1R,2R)-2-chlorocyclohexyl]acetamide is CC(=O)N(C(C)=O)[C@@H]1CCCC[C@H]1Cl.
What is the InChIKey of N-acetyl-N-[(1R,2R)-2-chlorocyclohexyl]acetamide?
The InChIKey is CXRNSDAFXYVMSK-NXEZZACHSA-N. The full InChI is InChI=1S/C10H16ClNO2/c1-7(13)12(8(2)14)10-6-4-3-5-9(10)11/h9-10H,3-6H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of N-acetyl-N-[(1R,2R)-2-chlorocyclohexyl]acetamide?
N-acetyl-N-[(1R,2R)-2-chlorocyclohexyl]acetamide has a molecular weight of 217.70 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[(1R,2R)-2-chlorocyclohexyl]acetamide is sourced from PubChem (CID 13273722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).