2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride

C10H18Cl2N2O2 — CID 15945331

IUPAC2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride
SMILESCC1CCCCC1NC(=O)NC(=O)CCl.Cl
InChIInChI=1S/C10H17ClN2O2.ClH/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);1H
InChIKeyLGGBQQHRZWXYOQ-UHFFFAOYSA-N
MW269.17 g/mol
LogP2.05
Rot. Bonds2

About 2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride

2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride (PubChem CID 15945331) has the molecular formula C10H18Cl2N2O2 and a molecular weight of 269.17 g/mol. Its IUPAC name is 2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride
PubChem CID15945331
Molecular FormulaC10H18Cl2N2O2
Molecular Weight269.17 g/mol
Exact Mass268.07
IUPAC Name2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride
SMILESCC1CCCCC1NC(=O)NC(=O)CCl.Cl
InChIInChI=1S/C10H17ClN2O2.ClH/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);1H
InChIKeyLGGBQQHRZWXYOQ-UHFFFAOYSA-N
XLogP2.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 52.05
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-methylcyclohexyl)carbamoyl]acetamide;hydrochloride?
The IUPAC name of 2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride (CID 15945331) is 2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride is CC1CCCCC1NC(=O)NC(=O)CCl.Cl.
What is the InChIKey of 2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride?
The InChIKey is LGGBQQHRZWXYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2.ClH/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);1H.
What are the key properties of 2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride?
2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride has a molecular weight of 269.17 g/mol, XLogP of 2.05, 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-methylcyclohexyl)carbamoyl]acetamide;hydrochloride is sourced from PubChem (CID 15945331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).