2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide chloride

C10H17Cl2N2O2- — CID 53347709

IUPAC2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide chloride
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/p-1
InChIKeyLGGBQQHRZWXYOQ-UHFFFAOYSA-M
MW268.16 g/mol
LogP-1.37
Rot. Bonds2

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

2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide chloride (PubChem CID 53347709) has the molecular formula C10H17Cl2N2O2- and a molecular weight of 268.16 g/mol. Its IUPAC name is 2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide chloride.

Molecular Properties

Compound Name2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide chloride
PubChem CID53347709
Molecular FormulaC10H17Cl2N2O2-
Molecular Weight268.16 g/mol
Exact Mass267.07
IUPAC Name2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide chloride
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/p-1
InChIKeyLGGBQQHRZWXYOQ-UHFFFAOYSA-M
XLogP-1.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 5-1.37
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 chloride?
The IUPAC name of 2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide chloride (CID 53347709) is 2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide chloride.
What is the SMILES notation for 2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide chloride?
The canonical SMILES for 2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide chloride is CC1CCCCC1NC(=O)NC(=O)CCl.[Cl-].
What is the InChIKey of 2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide chloride?
The InChIKey is LGGBQQHRZWXYOQ-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide chloride?
2-chloro-N-[(2-methylcyclohexyl)carbamoyl]acetamide chloride has a molecular weight of 268.16 g/mol, XLogP of -1.37, 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 chloride is sourced from PubChem (CID 53347709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).