2-chloro-N,N-dihexylacetamide

C14H28ClNO — CID 533169

IUPAC2-chloro-N,N-dihexylacetamide
SMILESCCCCCCN(CCCCCC)C(=O)CCl
InChIInChI=1S/C14H28ClNO/c1-3-5-7-9-11-16(14(17)13-15)12-10-8-6-4-2/h3-13H2,1-2H3
InChIKeyZGQVQRKCUZEQLW-UHFFFAOYSA-N
MW261.84 g/mol
LogP4.21
Rot. Bonds11

About 2-chloro-N,N-dihexylacetamide

2-chloro-N,N-dihexylacetamide (PubChem CID 533169) has the molecular formula C14H28ClNO and a molecular weight of 261.84 g/mol. Its IUPAC name is 2-chloro-N,N-dihexylacetamide.

Molecular Properties

Compound Name2-chloro-N,N-dihexylacetamide
PubChem CID533169
Molecular FormulaC14H28ClNO
Molecular Weight261.84 g/mol
Exact Mass261.19
IUPAC Name2-chloro-N,N-dihexylacetamide
SMILESCCCCCCN(CCCCCC)C(=O)CCl
InChIInChI=1S/C14H28ClNO/c1-3-5-7-9-11-16(14(17)13-15)12-10-8-6-4-2/h3-13H2,1-2H3
InChIKeyZGQVQRKCUZEQLW-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.84
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dihexylacetamide?
The IUPAC name of 2-chloro-N,N-dihexylacetamide (CID 533169) is 2-chloro-N,N-dihexylacetamide.
What is the SMILES notation for 2-chloro-N,N-dihexylacetamide?
The canonical SMILES for 2-chloro-N,N-dihexylacetamide is CCCCCCN(CCCCCC)C(=O)CCl.
What is the InChIKey of 2-chloro-N,N-dihexylacetamide?
The InChIKey is ZGQVQRKCUZEQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO/c1-3-5-7-9-11-16(14(17)13-15)12-10-8-6-4-2/h3-13H2,1-2H3.
What are the key properties of 2-chloro-N,N-dihexylacetamide?
2-chloro-N,N-dihexylacetamide has a molecular weight of 261.84 g/mol, XLogP of 4.21, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dihexylacetamide is sourced from PubChem (CID 533169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).