2-chloro-N,N-diheptylacetamide

C16H32ClNO — CID 533171

IUPAC2-chloro-N,N-diheptylacetamide
SMILESCCCCCCCN(CCCCCCC)C(=O)CCl
InChIInChI=1S/C16H32ClNO/c1-3-5-7-9-11-13-18(16(19)15-17)14-12-10-8-6-4-2/h3-15H2,1-2H3
InChIKeyZOFPQFIAAZHFAY-UHFFFAOYSA-N
MW289.89 g/mol
LogP4.99
Rot. Bonds13

About 2-chloro-N,N-diheptylacetamide

2-chloro-N,N-diheptylacetamide (PubChem CID 533171) has the molecular formula C16H32ClNO and a molecular weight of 289.89 g/mol. Its IUPAC name is 2-chloro-N,N-diheptylacetamide.

Molecular Properties

Compound Name2-chloro-N,N-diheptylacetamide
PubChem CID533171
Molecular FormulaC16H32ClNO
Molecular Weight289.89 g/mol
Exact Mass289.22
IUPAC Name2-chloro-N,N-diheptylacetamide
SMILESCCCCCCCN(CCCCCCC)C(=O)CCl
InChIInChI=1S/C16H32ClNO/c1-3-5-7-9-11-13-18(16(19)15-17)14-12-10-8-6-4-2/h3-15H2,1-2H3
InChIKeyZOFPQFIAAZHFAY-UHFFFAOYSA-N
XLogP4.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.89
LogP ≤ 54.99
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-diheptylacetamide?
The IUPAC name of 2-chloro-N,N-diheptylacetamide (CID 533171) is 2-chloro-N,N-diheptylacetamide.
What is the SMILES notation for 2-chloro-N,N-diheptylacetamide?
The canonical SMILES for 2-chloro-N,N-diheptylacetamide is CCCCCCCN(CCCCCCC)C(=O)CCl.
What is the InChIKey of 2-chloro-N,N-diheptylacetamide?
The InChIKey is ZOFPQFIAAZHFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32ClNO/c1-3-5-7-9-11-13-18(16(19)15-17)14-12-10-8-6-4-2/h3-15H2,1-2H3.
What are the key properties of 2-chloro-N,N-diheptylacetamide?
2-chloro-N,N-diheptylacetamide has a molecular weight of 289.89 g/mol, XLogP of 4.99, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diheptylacetamide is sourced from PubChem (CID 533171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).