5-chloro-N-propan-2-ylpentanamide

C8H16ClNO — CID 28733237

IUPAC5-chloro-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)CCCCCl
InChIInChI=1S/C8H16ClNO/c1-7(2)10-8(11)5-3-4-6-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyZFDNXUMITRRWBV-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.92
Rot. Bonds5

About 5-chloro-N-propan-2-ylpentanamide

5-chloro-N-propan-2-ylpentanamide (PubChem CID 28733237) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 5-chloro-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name5-chloro-N-propan-2-ylpentanamide
PubChem CID28733237
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name5-chloro-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)CCCCCl
InChIInChI=1S/C8H16ClNO/c1-7(2)10-8(11)5-3-4-6-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyZFDNXUMITRRWBV-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.92
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

5-chloro-N-cyclohexylpentanamide
CID 11672974
3-chloro-N-cyclopentylpropanamide
CID 4103610
N-(4-chlorobutyl)butanamide
CID 637113
4-chloro-N-(2-methylpropyl)butanamide
CID 4381445
N-(5-chloropentyl)acetamide
CID 55301125
Valeramide, 5-chloro-N-heptyl-
CID 91732475
5-Chloro-N-methylpentanamide
CID 19992324
2-chloro-N-(pentan-2-yl)propanamide
CID 24710832
N-(2-chloroethyl)pentanamide
CID 28347356
Valeramide, 5-chloro-N-butyl-
CID 28733165
Valeramide, 5-chloro-N-pentyl-
CID 28733263
Valeramide, 5-chloro-N-isobutyl-
CID 28733372

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-propan-2-ylpentanamide?
The IUPAC name of 5-chloro-N-propan-2-ylpentanamide (CID 28733237) is 5-chloro-N-propan-2-ylpentanamide.
What is the SMILES notation for 5-chloro-N-propan-2-ylpentanamide?
The canonical SMILES for 5-chloro-N-propan-2-ylpentanamide is CC(C)NC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-propan-2-ylpentanamide?
The InChIKey is ZFDNXUMITRRWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-7(2)10-8(11)5-3-4-6-9/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 5-chloro-N-propan-2-ylpentanamide?
5-chloro-N-propan-2-ylpentanamide has a molecular weight of 177.67 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-propan-2-ylpentanamide is sourced from PubChem (CID 28733237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).