2-chloro-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide

C10H17ClN2O2 — CID 2125322

IUPAC2-chloro-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CCl
InChIInChI=1S/C10H17ClN2O2/c1-7-4-2-3-5-8(7)12-10(15)13-9(14)6-11/h7-8H,2-6H2,1H3,(H2,12,13,14,15)/t7-,8+/m1/s1
InChIKeyRZMQRXRWKFLFEN-SFYZADRCSA-N
MW232.71 g/mol
LogP1.63
Rot. Bonds2

About 2-chloro-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide

2-chloro-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide (PubChem CID 2125322) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-chloro-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
PubChem CID2125322
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name2-chloro-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CCl
InChIInChI=1S/C10H17ClN2O2/c1-7-4-2-3-5-8(7)12-10(15)13-9(14)6-11/h7-8H,2-6H2,1H3,(H2,12,13,14,15)/t7-,8+/m1/s1
InChIKeyRZMQRXRWKFLFEN-SFYZADRCSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 51.63
H-Bond Donors ≤ 52
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 2-chloro-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide (CID 2125322) is 2-chloro-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide is C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
The InChIKey is RZMQRXRWKFLFEN-SFYZADRCSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-7-4-2-3-5-8(7)12-10(15)13-9(14)6-11/h7-8H,2-6H2,1H3,(H2,12,13,14,15)/t7-,8+/m1/s1.
What are the key properties of 2-chloro-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
2-chloro-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide has a molecular weight of 232.71 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide is sourced from PubChem (CID 2125322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).