2-chloro-N-(1-cyclopropylbutan-2-yl)acetamide

C9H16ClNO — CID 63995826

IUPAC2-chloro-N-(1-cyclopropylbutan-2-yl)acetamide
SMILESCCC(CC1CC1)NC(=O)CCl
InChIInChI=1S/C9H16ClNO/c1-2-8(5-7-3-4-7)11-9(12)6-10/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyOYEPSHCYQIOGDD-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.92
Rot. Bonds5

About 2-chloro-N-(1-cyclopropylbutan-2-yl)acetamide

2-chloro-N-(1-cyclopropylbutan-2-yl)acetamide (PubChem CID 63995826) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopropylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopropylbutan-2-yl)acetamide
PubChem CID63995826
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name2-chloro-N-(1-cyclopropylbutan-2-yl)acetamide
SMILESCCC(CC1CC1)NC(=O)CCl
InChIInChI=1S/C9H16ClNO/c1-2-8(5-7-3-4-7)11-9(12)6-10/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyOYEPSHCYQIOGDD-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.92
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-(1-cyclopropylbutan-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(1-cyclopropylbutan-2-yl)acetamide (CID 63995826) is 2-chloro-N-(1-cyclopropylbutan-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1-cyclopropylbutan-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1-cyclopropylbutan-2-yl)acetamide is CCC(CC1CC1)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(1-cyclopropylbutan-2-yl)acetamide?
The InChIKey is OYEPSHCYQIOGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-2-8(5-7-3-4-7)11-9(12)6-10/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-chloro-N-(1-cyclopropylbutan-2-yl)acetamide?
2-chloro-N-(1-cyclopropylbutan-2-yl)acetamide has a molecular weight of 189.69 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopropylbutan-2-yl)acetamide is sourced from PubChem (CID 63995826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).