N-butyl-2-chloro-N-propylacetamide

C9H18ClNO — CID 91623318

IUPACN-butyl-2-chloro-N-propylacetamide
SMILESCCCCN(CCC)C(=O)CCl
InChIInChI=1S/C9H18ClNO/c1-3-5-7-11(6-4-2)9(12)8-10/h3-8H2,1-2H3
InChIKeyHPQIAYZNBBGVAN-UHFFFAOYSA-N
MW191.70 g/mol
LogP2.26
Rot. Bonds6

About N-butyl-2-chloro-N-propylacetamide

N-butyl-2-chloro-N-propylacetamide (PubChem CID 91623318) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is N-butyl-2-chloro-N-propylacetamide.

Molecular Properties

Compound NameN-butyl-2-chloro-N-propylacetamide
PubChem CID91623318
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC NameN-butyl-2-chloro-N-propylacetamide
SMILESCCCCN(CCC)C(=O)CCl
InChIInChI=1S/C9H18ClNO/c1-3-5-7-11(6-4-2)9(12)8-10/h3-8H2,1-2H3
InChIKeyHPQIAYZNBBGVAN-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': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-N-propylacetamide?
The IUPAC name of N-butyl-2-chloro-N-propylacetamide (CID 91623318) is N-butyl-2-chloro-N-propylacetamide.
What is the SMILES notation for N-butyl-2-chloro-N-propylacetamide?
The canonical SMILES for N-butyl-2-chloro-N-propylacetamide is CCCCN(CCC)C(=O)CCl.
What is the InChIKey of N-butyl-2-chloro-N-propylacetamide?
The InChIKey is HPQIAYZNBBGVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-3-5-7-11(6-4-2)9(12)8-10/h3-8H2,1-2H3.
What are the key properties of N-butyl-2-chloro-N-propylacetamide?
N-butyl-2-chloro-N-propylacetamide 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 N-butyl-2-chloro-N-propylacetamide is sourced from PubChem (CID 91623318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).