2-chloro-N,N-dimethyl-2-(1-methylcycloheptyl)acetamide

C12H22ClNO — CID 131166043

IUPAC2-chloro-N,N-dimethyl-2-(1-methylcycloheptyl)acetamide
SMILESCN(C)C(=O)C(Cl)C1(C)CCCCCC1
InChIInChI=1S/C12H22ClNO/c1-12(8-6-4-5-7-9-12)10(13)11(15)14(2)3/h10H,4-9H2,1-3H3
InChIKeyFYMNYLFSFOMWHY-UHFFFAOYSA-N
MW231.77 g/mol
LogP3.04
Rot. Bonds2

About 2-chloro-N,N-dimethyl-2-(1-methylcycloheptyl)acetamide

2-chloro-N,N-dimethyl-2-(1-methylcycloheptyl)acetamide (PubChem CID 131166043) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-2-(1-methylcycloheptyl)acetamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-2-(1-methylcycloheptyl)acetamide
PubChem CID131166043
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name2-chloro-N,N-dimethyl-2-(1-methylcycloheptyl)acetamide
SMILESCN(C)C(=O)C(Cl)C1(C)CCCCCC1
InChIInChI=1S/C12H22ClNO/c1-12(8-6-4-5-7-9-12)10(13)11(15)14(2)3/h10H,4-9H2,1-3H3
InChIKeyFYMNYLFSFOMWHY-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,N-dimethyl-2-(1-methylcycloheptyl)acetamide?
The IUPAC name of 2-chloro-N,N-dimethyl-2-(1-methylcycloheptyl)acetamide (CID 131166043) is 2-chloro-N,N-dimethyl-2-(1-methylcycloheptyl)acetamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-2-(1-methylcycloheptyl)acetamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-2-(1-methylcycloheptyl)acetamide is CN(C)C(=O)C(Cl)C1(C)CCCCCC1.
What is the InChIKey of 2-chloro-N,N-dimethyl-2-(1-methylcycloheptyl)acetamide?
The InChIKey is FYMNYLFSFOMWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-12(8-6-4-5-7-9-12)10(13)11(15)14(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 2-chloro-N,N-dimethyl-2-(1-methylcycloheptyl)acetamide?
2-chloro-N,N-dimethyl-2-(1-methylcycloheptyl)acetamide has a molecular weight of 231.77 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-2-(1-methylcycloheptyl)acetamide is sourced from PubChem (CID 131166043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).