2-chloro-N-(3-propylhexan-2-yl)acetamide

C11H22ClNO — CID 3040307

IUPAC2-chloro-N-(3-propylhexan-2-yl)acetamide
SMILESCCCC(CCC)C(C)NC(=O)CCl
InChIInChI=1S/C11H22ClNO/c1-4-6-10(7-5-2)9(3)13-11(14)8-12/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyXSCQBMDVQIGAMV-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.95
Rot. Bonds7

About 2-chloro-N-(3-propylhexan-2-yl)acetamide

2-chloro-N-(3-propylhexan-2-yl)acetamide (PubChem CID 3040307) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 2-chloro-N-(3-propylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-propylhexan-2-yl)acetamide
PubChem CID3040307
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name2-chloro-N-(3-propylhexan-2-yl)acetamide
SMILESCCCC(CCC)C(C)NC(=O)CCl
InChIInChI=1S/C11H22ClNO/c1-4-6-10(7-5-2)9(3)13-11(14)8-12/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyXSCQBMDVQIGAMV-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.95
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-chloro-N-(3-propylhexan-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(3-propylhexan-2-yl)acetamide (CID 3040307) is 2-chloro-N-(3-propylhexan-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-propylhexan-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(3-propylhexan-2-yl)acetamide is CCCC(CCC)C(C)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(3-propylhexan-2-yl)acetamide?
The InChIKey is XSCQBMDVQIGAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-4-6-10(7-5-2)9(3)13-11(14)8-12/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-chloro-N-(3-propylhexan-2-yl)acetamide?
2-chloro-N-(3-propylhexan-2-yl)acetamide has a molecular weight of 219.76 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-propylhexan-2-yl)acetamide is sourced from PubChem (CID 3040307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).