5-chloro-N-pentylpentanamide

C10H20ClNO — CID 28733263

IUPAC5-chloro-N-pentylpentanamide
SMILESCCCCCNC(=O)CCCCCl
InChIInChI=1S/C10H20ClNO/c1-2-3-6-9-12-10(13)7-4-5-8-11/h2-9H2,1H3,(H,12,13)
InChIKeyNXTVLYPQRFOPMW-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.70
Rot. Bonds8

About 5-chloro-N-pentylpentanamide

5-chloro-N-pentylpentanamide (PubChem CID 28733263) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 5-chloro-N-pentylpentanamide.

Molecular Properties

Compound Name5-chloro-N-pentylpentanamide
PubChem CID28733263
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name5-chloro-N-pentylpentanamide
SMILESCCCCCNC(=O)CCCCCl
InChIInChI=1S/C10H20ClNO/c1-2-3-6-9-12-10(13)7-4-5-8-11/h2-9H2,1H3,(H,12,13)
InChIKeyNXTVLYPQRFOPMW-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.70
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-pentylpentanamide?
The IUPAC name of 5-chloro-N-pentylpentanamide (CID 28733263) is 5-chloro-N-pentylpentanamide.
What is the SMILES notation for 5-chloro-N-pentylpentanamide?
The canonical SMILES for 5-chloro-N-pentylpentanamide is CCCCCNC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-pentylpentanamide?
The InChIKey is NXTVLYPQRFOPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-2-3-6-9-12-10(13)7-4-5-8-11/h2-9H2,1H3,(H,12,13).
What are the key properties of 5-chloro-N-pentylpentanamide?
5-chloro-N-pentylpentanamide has a molecular weight of 205.73 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-pentylpentanamide is sourced from PubChem (CID 28733263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).