2-chloro-N-(cyclopropylmethyl)-N-propylacetamide

C9H16ClNO — CID 2384361

IUPAC2-chloro-N-(cyclopropylmethyl)-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)CCl
InChIInChI=1S/C9H16ClNO/c1-2-5-11(9(12)6-10)7-8-3-4-8/h8H,2-7H2,1H3
InChIKeyHBRDBSOOZIZPIC-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.87
Rot. Bonds5

About 2-chloro-N-(cyclopropylmethyl)-N-propylacetamide

2-chloro-N-(cyclopropylmethyl)-N-propylacetamide (PubChem CID 2384361) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethyl)-N-propylacetamide
PubChem CID2384361
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name2-chloro-N-(cyclopropylmethyl)-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)CCl
InChIInChI=1S/C9H16ClNO/c1-2-5-11(9(12)6-10)7-8-3-4-8/h8H,2-7H2,1H3
InChIKeyHBRDBSOOZIZPIC-UHFFFAOYSA-N
XLogP1.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.87
H-Bond Donors ≤ 50
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-(cyclopropylmethyl)-N-propylacetamide?
The IUPAC name of 2-chloro-N-(cyclopropylmethyl)-N-propylacetamide (CID 2384361) is 2-chloro-N-(cyclopropylmethyl)-N-propylacetamide.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethyl)-N-propylacetamide?
The canonical SMILES for 2-chloro-N-(cyclopropylmethyl)-N-propylacetamide is CCCN(CC1CC1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(cyclopropylmethyl)-N-propylacetamide?
The InChIKey is HBRDBSOOZIZPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-2-5-11(9(12)6-10)7-8-3-4-8/h8H,2-7H2,1H3.
What are the key properties of 2-chloro-N-(cyclopropylmethyl)-N-propylacetamide?
2-chloro-N-(cyclopropylmethyl)-N-propylacetamide has a molecular weight of 189.69 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopropylmethyl)-N-propylacetamide is sourced from PubChem (CID 2384361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).