2-chloro-N-[(2,3-dimethylcyclohexyl)carbamoyl]acetamide

C11H19ClN2O2 — CID 5010280

IUPAC2-chloro-N-[(2,3-dimethylcyclohexyl)carbamoyl]acetamide
SMILESCC1CCCC(NC(=O)NC(=O)CCl)C1C
InChIInChI=1S/C11H19ClN2O2/c1-7-4-3-5-9(8(7)2)13-11(16)14-10(15)6-12/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyHMBFDDSLYMRBIX-UHFFFAOYSA-N
MW246.74 g/mol
LogP1.88
Rot. Bonds2

About 2-chloro-N-[(2,3-dimethylcyclohexyl)carbamoyl]acetamide

2-chloro-N-[(2,3-dimethylcyclohexyl)carbamoyl]acetamide (PubChem CID 5010280) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-chloro-N-[(2,3-dimethylcyclohexyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2,3-dimethylcyclohexyl)carbamoyl]acetamide
PubChem CID5010280
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name2-chloro-N-[(2,3-dimethylcyclohexyl)carbamoyl]acetamide
SMILESCC1CCCC(NC(=O)NC(=O)CCl)C1C
InChIInChI=1S/C11H19ClN2O2/c1-7-4-3-5-9(8(7)2)13-11(16)14-10(15)6-12/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyHMBFDDSLYMRBIX-UHFFFAOYSA-N
XLogP1.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 51.88
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-[(2,3-dimethylcyclohexyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(2,3-dimethylcyclohexyl)carbamoyl]acetamide (CID 5010280) is 2-chloro-N-[(2,3-dimethylcyclohexyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2,3-dimethylcyclohexyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2,3-dimethylcyclohexyl)carbamoyl]acetamide is CC1CCCC(NC(=O)NC(=O)CCl)C1C.
What is the InChIKey of 2-chloro-N-[(2,3-dimethylcyclohexyl)carbamoyl]acetamide?
The InChIKey is HMBFDDSLYMRBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c1-7-4-3-5-9(8(7)2)13-11(16)14-10(15)6-12/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-chloro-N-[(2,3-dimethylcyclohexyl)carbamoyl]acetamide?
2-chloro-N-[(2,3-dimethylcyclohexyl)carbamoyl]acetamide has a molecular weight of 246.74 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,3-dimethylcyclohexyl)carbamoyl]acetamide is sourced from PubChem (CID 5010280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).