N-(4-chlorobutyl)-2-propylpentanamide

C12H24ClNO — CID 106845457

IUPACN-(4-chlorobutyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCCCCCl
InChIInChI=1S/C12H24ClNO/c1-3-7-11(8-4-2)12(15)14-10-6-5-9-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyCJVQPYIBELCARA-UHFFFAOYSA-N
MW233.78 g/mol
LogP3.34
Rot. Bonds9

About N-(4-chlorobutyl)-2-propylpentanamide

N-(4-chlorobutyl)-2-propylpentanamide (PubChem CID 106845457) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is N-(4-chlorobutyl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(4-chlorobutyl)-2-propylpentanamide
PubChem CID106845457
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC NameN-(4-chlorobutyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCCCCCl
InChIInChI=1S/C12H24ClNO/c1-3-7-11(8-4-2)12(15)14-10-6-5-9-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyCJVQPYIBELCARA-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 53.34
H-Bond Donors ≤ 51
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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Related Compounds

Valeramide, N,2-dipropyl-
CID 200919
Valeramide, N-isobutyl-2-propyl-
CID 211202
N-Butyl-2-ethylhexanamide
CID 24058
Valeramide, N-butyl-2-propyl-
CID 200921
2-Chloro-N-(2-propylpentyl)ethanimidic acid
CID 218533
4-chloro-N-(2-methylpropyl)butanamide
CID 4381445
Valeramide, 5-chloro-N-heptyl-
CID 91732475
N-(2-ethylhexyl)pentanamide
CID 2930605
N-(3-chloropropyl)cyclopentanecarboxamide
CID 17164604
N-Heptyl-2-propylvaleramide
CID 3032193
N-Isopentyl-2-propylvaleramide
CID 3032198
N,2-Diethylhexanamide
CID 3028554

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)-2-propylpentanamide?
The IUPAC name of N-(4-chlorobutyl)-2-propylpentanamide (CID 106845457) is N-(4-chlorobutyl)-2-propylpentanamide.
What is the SMILES notation for N-(4-chlorobutyl)-2-propylpentanamide?
The canonical SMILES for N-(4-chlorobutyl)-2-propylpentanamide is CCCC(CCC)C(=O)NCCCCCl.
What is the InChIKey of N-(4-chlorobutyl)-2-propylpentanamide?
The InChIKey is CJVQPYIBELCARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-3-7-11(8-4-2)12(15)14-10-6-5-9-13/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-(4-chlorobutyl)-2-propylpentanamide?
N-(4-chlorobutyl)-2-propylpentanamide has a molecular weight of 233.78 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)-2-propylpentanamide is sourced from PubChem (CID 106845457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).