2-chloro-N-ethyl-N-pentylacetamide

C9H18ClNO — CID 91693904

IUPAC2-chloro-N-ethyl-N-pentylacetamide
SMILESCCCCCN(CC)C(=O)CCl
InChIInChI=1S/C9H18ClNO/c1-3-5-6-7-11(4-2)9(12)8-10/h3-8H2,1-2H3
InChIKeyYGNJFQDHCDYXNA-UHFFFAOYSA-N
MW191.70 g/mol
LogP2.26
Rot. Bonds6

About 2-chloro-N-ethyl-N-pentylacetamide

2-chloro-N-ethyl-N-pentylacetamide (PubChem CID 91693904) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-pentylacetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-pentylacetamide
PubChem CID91693904
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name2-chloro-N-ethyl-N-pentylacetamide
SMILESCCCCCN(CC)C(=O)CCl
InChIInChI=1S/C9H18ClNO/c1-3-5-6-7-11(4-2)9(12)8-10/h3-8H2,1-2H3
InChIKeyYGNJFQDHCDYXNA-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 52.26
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-pentylacetamide?
The IUPAC name of 2-chloro-N-ethyl-N-pentylacetamide (CID 91693904) is 2-chloro-N-ethyl-N-pentylacetamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-pentylacetamide?
The canonical SMILES for 2-chloro-N-ethyl-N-pentylacetamide is CCCCCN(CC)C(=O)CCl.
What is the InChIKey of 2-chloro-N-ethyl-N-pentylacetamide?
The InChIKey is YGNJFQDHCDYXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-3-5-6-7-11(4-2)9(12)8-10/h3-8H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-N-pentylacetamide?
2-chloro-N-ethyl-N-pentylacetamide has a molecular weight of 191.70 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-pentylacetamide is sourced from PubChem (CID 91693904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).