N-butyl-2-chloro-N-methylacetamide

C7H14ClNO — CID 18936900

IUPACN-butyl-2-chloro-N-methylacetamide
SMILESCCCCN(C)C(=O)CCl
InChIInChI=1S/C7H14ClNO/c1-3-4-5-9(2)7(10)6-8/h3-6H2,1-2H3
InChIKeyFMDCVGFKCSILHT-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.48
Rot. Bonds4

About N-butyl-2-chloro-N-methylacetamide

N-butyl-2-chloro-N-methylacetamide (PubChem CID 18936900) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is N-butyl-2-chloro-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-chloro-N-methylacetamide
PubChem CID18936900
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC NameN-butyl-2-chloro-N-methylacetamide
SMILESCCCCN(C)C(=O)CCl
InChIInChI=1S/C7H14ClNO/c1-3-4-5-9(2)7(10)6-8/h3-6H2,1-2H3
InChIKeyFMDCVGFKCSILHT-UHFFFAOYSA-N
XLogP1.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.48
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 N-butyl-2-chloro-N-methylacetamide?
The IUPAC name of N-butyl-2-chloro-N-methylacetamide (CID 18936900) is N-butyl-2-chloro-N-methylacetamide.
What is the SMILES notation for N-butyl-2-chloro-N-methylacetamide?
The canonical SMILES for N-butyl-2-chloro-N-methylacetamide is CCCCN(C)C(=O)CCl.
What is the InChIKey of N-butyl-2-chloro-N-methylacetamide?
The InChIKey is FMDCVGFKCSILHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-3-4-5-9(2)7(10)6-8/h3-6H2,1-2H3.
What are the key properties of N-butyl-2-chloro-N-methylacetamide?
N-butyl-2-chloro-N-methylacetamide has a molecular weight of 163.65 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-N-methylacetamide is sourced from PubChem (CID 18936900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).