5-chloro-N-(3-methylbutyl)pentanamide

C10H20ClNO — CID 28733512

IUPAC5-chloro-N-(3-methylbutyl)pentanamide
SMILESCC(C)CCNC(=O)CCCCCl
InChIInChI=1S/C10H20ClNO/c1-9(2)6-8-12-10(13)5-3-4-7-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyGRWJQLVSSDGGPL-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.56
Rot. Bonds7

About 5-chloro-N-(3-methylbutyl)pentanamide

5-chloro-N-(3-methylbutyl)pentanamide (PubChem CID 28733512) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 5-chloro-N-(3-methylbutyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(3-methylbutyl)pentanamide
PubChem CID28733512
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name5-chloro-N-(3-methylbutyl)pentanamide
SMILESCC(C)CCNC(=O)CCCCCl
InChIInChI=1S/C10H20ClNO/c1-9(2)6-8-12-10(13)5-3-4-7-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyGRWJQLVSSDGGPL-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.56
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-(3-methylbutyl)pentanamide?
The IUPAC name of 5-chloro-N-(3-methylbutyl)pentanamide (CID 28733512) is 5-chloro-N-(3-methylbutyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(3-methylbutyl)pentanamide?
The canonical SMILES for 5-chloro-N-(3-methylbutyl)pentanamide is CC(C)CCNC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(3-methylbutyl)pentanamide?
The InChIKey is GRWJQLVSSDGGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-9(2)6-8-12-10(13)5-3-4-7-11/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 5-chloro-N-(3-methylbutyl)pentanamide?
5-chloro-N-(3-methylbutyl)pentanamide has a molecular weight of 205.73 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methylbutyl)pentanamide is sourced from PubChem (CID 28733512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).