2,2-dichloro-N,N-dihexylacetamide

C14H27Cl2NO — CID 533320

IUPAC2,2-dichloro-N,N-dihexylacetamide
SMILESCCCCCCN(CCCCCC)C(=O)C(Cl)Cl
InChIInChI=1S/C14H27Cl2NO/c1-3-5-7-9-11-17(14(18)13(15)16)12-10-8-6-4-2/h13H,3-12H2,1-2H3
InChIKeyTXPVLEZUMVIIBX-UHFFFAOYSA-N
MW296.28 g/mol
LogP4.78
Rot. Bonds11

About 2,2-dichloro-N,N-dihexylacetamide

2,2-dichloro-N,N-dihexylacetamide (PubChem CID 533320) has the molecular formula C14H27Cl2NO and a molecular weight of 296.28 g/mol. Its IUPAC name is 2,2-dichloro-N,N-dihexylacetamide.

Molecular Properties

Compound Name2,2-dichloro-N,N-dihexylacetamide
PubChem CID533320
Molecular FormulaC14H27Cl2NO
Molecular Weight296.28 g/mol
Exact Mass295.15
IUPAC Name2,2-dichloro-N,N-dihexylacetamide
SMILESCCCCCCN(CCCCCC)C(=O)C(Cl)Cl
InChIInChI=1S/C14H27Cl2NO/c1-3-5-7-9-11-17(14(18)13(15)16)12-10-8-6-4-2/h13H,3-12H2,1-2H3
InChIKeyTXPVLEZUMVIIBX-UHFFFAOYSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 54.78
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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Related Compounds

2-chloro-N,N-dihexylpropanamide
CID 533081
N,N-didodecyl-2-hydroxyoctadecanamide
CID 175541857
2-amino-N,N-dihexylpropanamide
CID 54872127
(2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide
CID 11420901
N,N,N',N'-tetrahexyloxamide
CID 6424911
4-(dipentylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497775
3-chloro-N-heptyl-N-(3-hydroxypropyl)-2-methylpropanamide
CID 55111093
2,3-dihydroxy-N',N'-dioctylbutanediamide
CID 54049006
N-hexyl-N',2-dimethyl-N,N'-dioctylpropanediamide
CID 87219265
N,N-di(icosyl)acetamide
CID 57063838
hexyl(octadecyl)carbamic acid
CID 87702094
N-heptadecyl-N-tridecylacetamide
CID 172567567

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N,N-dihexylacetamide?
The IUPAC name of 2,2-dichloro-N,N-dihexylacetamide (CID 533320) is 2,2-dichloro-N,N-dihexylacetamide.
What is the SMILES notation for 2,2-dichloro-N,N-dihexylacetamide?
The canonical SMILES for 2,2-dichloro-N,N-dihexylacetamide is CCCCCCN(CCCCCC)C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N,N-dihexylacetamide?
The InChIKey is TXPVLEZUMVIIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27Cl2NO/c1-3-5-7-9-11-17(14(18)13(15)16)12-10-8-6-4-2/h13H,3-12H2,1-2H3.
What are the key properties of 2,2-dichloro-N,N-dihexylacetamide?
2,2-dichloro-N,N-dihexylacetamide has a molecular weight of 296.28 g/mol, XLogP of 4.78, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N,N-dihexylacetamide is sourced from PubChem (CID 533320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).