5-chloro-N-(2-methylpropyl)pentanamide

C9H18ClNO — CID 28733372

IUPAC5-chloro-N-(2-methylpropyl)pentanamide
SMILESCC(C)CNC(=O)CCCCCl
InChIInChI=1S/C9H18ClNO/c1-8(2)7-11-9(12)5-3-4-6-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyKVQOKZTZOQQPQT-UHFFFAOYSA-N
MW191.70 g/mol
LogP2.17
Rot. Bonds6

About 5-chloro-N-(2-methylpropyl)pentanamide

5-chloro-N-(2-methylpropyl)pentanamide (PubChem CID 28733372) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 5-chloro-N-(2-methylpropyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2-methylpropyl)pentanamide
PubChem CID28733372
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name5-chloro-N-(2-methylpropyl)pentanamide
SMILESCC(C)CNC(=O)CCCCCl
InChIInChI=1S/C9H18ClNO/c1-8(2)7-11-9(12)5-3-4-6-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyKVQOKZTZOQQPQT-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 52.17
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylpropyl)pentanamide?
The IUPAC name of 5-chloro-N-(2-methylpropyl)pentanamide (CID 28733372) is 5-chloro-N-(2-methylpropyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2-methylpropyl)pentanamide?
The canonical SMILES for 5-chloro-N-(2-methylpropyl)pentanamide is CC(C)CNC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(2-methylpropyl)pentanamide?
The InChIKey is KVQOKZTZOQQPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-8(2)7-11-9(12)5-3-4-6-10/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 5-chloro-N-(2-methylpropyl)pentanamide?
5-chloro-N-(2-methylpropyl)pentanamide has a molecular weight of 191.70 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylpropyl)pentanamide is sourced from PubChem (CID 28733372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).