2,2-dichloro-N-(3-propylhexan-2-yl)acetamide

C11H21Cl2NO — CID 3040308

IUPAC2,2-dichloro-N-(3-propylhexan-2-yl)acetamide
SMILESCCCC(CCC)C(C)NC(=O)C(Cl)Cl
InChIInChI=1S/C11H21Cl2NO/c1-4-6-9(7-5-2)8(3)14-11(15)10(12)13/h8-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyJEFNXWUXZGSBKQ-UHFFFAOYSA-N
MW254.20 g/mol
LogP3.51
Rot. Bonds7

About 2,2-dichloro-N-(3-propylhexan-2-yl)acetamide

2,2-dichloro-N-(3-propylhexan-2-yl)acetamide (PubChem CID 3040308) has the molecular formula C11H21Cl2NO and a molecular weight of 254.20 g/mol. Its IUPAC name is 2,2-dichloro-N-(3-propylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(3-propylhexan-2-yl)acetamide
PubChem CID3040308
Molecular FormulaC11H21Cl2NO
Molecular Weight254.20 g/mol
Exact Mass253.10
IUPAC Name2,2-dichloro-N-(3-propylhexan-2-yl)acetamide
SMILESCCCC(CCC)C(C)NC(=O)C(Cl)Cl
InChIInChI=1S/C11H21Cl2NO/c1-4-6-9(7-5-2)8(3)14-11(15)10(12)13/h8-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyJEFNXWUXZGSBKQ-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 53.51
H-Bond Donors ≤ 51
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 2,2-dichloro-N-(3-propylhexan-2-yl)acetamide?
The IUPAC name of 2,2-dichloro-N-(3-propylhexan-2-yl)acetamide (CID 3040308) is 2,2-dichloro-N-(3-propylhexan-2-yl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(3-propylhexan-2-yl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(3-propylhexan-2-yl)acetamide is CCCC(CCC)C(C)NC(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(3-propylhexan-2-yl)acetamide?
The InChIKey is JEFNXWUXZGSBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl2NO/c1-4-6-9(7-5-2)8(3)14-11(15)10(12)13/h8-10H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2,2-dichloro-N-(3-propylhexan-2-yl)acetamide?
2,2-dichloro-N-(3-propylhexan-2-yl)acetamide has a molecular weight of 254.20 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(3-propylhexan-2-yl)acetamide is sourced from PubChem (CID 3040308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).