5-chloro-N-heptan-2-ylpentanamide

C12H24ClNO — CID 43578895

IUPAC5-chloro-N-heptan-2-ylpentanamide
SMILESCCCCCC(C)NC(=O)CCCCCl
InChIInChI=1S/C12H24ClNO/c1-3-4-5-8-11(2)14-12(15)9-6-7-10-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyGVVUQONPDQIHEP-UHFFFAOYSA-N
MW233.78 g/mol
LogP3.48
Rot. Bonds9

About 5-chloro-N-heptan-2-ylpentanamide

5-chloro-N-heptan-2-ylpentanamide (PubChem CID 43578895) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 5-chloro-N-heptan-2-ylpentanamide.

Molecular Properties

Compound Name5-chloro-N-heptan-2-ylpentanamide
PubChem CID43578895
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name5-chloro-N-heptan-2-ylpentanamide
SMILESCCCCCC(C)NC(=O)CCCCCl
InChIInChI=1S/C12H24ClNO/c1-3-4-5-8-11(2)14-12(15)9-6-7-10-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyGVVUQONPDQIHEP-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
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

N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-pentan-2-ylundecanamide
CID 173258559
5-chloro-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177024
N-(6-aminohexan-2-yl)octanamide
CID 123172105
5-chloro-N-(1-hydroxypropan-2-yl)pentanamide
CID 61251203
2-chloro-N-[(2R)-octan-2-yl]acetamide
CID 7131842
N-heptan-2-ylhept-6-enamide
CID 166754138
N-butan-2-ylnonanamide
CID 4188803
N-butan-2-ylhexacosanamide
CID 163047877
N-dodecan-2-ylpropanamide
CID 174988669
N-hexan-2-ylbutanamide
CID 64592038

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-heptan-2-ylpentanamide?
The IUPAC name of 5-chloro-N-heptan-2-ylpentanamide (CID 43578895) is 5-chloro-N-heptan-2-ylpentanamide.
What is the SMILES notation for 5-chloro-N-heptan-2-ylpentanamide?
The canonical SMILES for 5-chloro-N-heptan-2-ylpentanamide is CCCCCC(C)NC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-heptan-2-ylpentanamide?
The InChIKey is GVVUQONPDQIHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-3-4-5-8-11(2)14-12(15)9-6-7-10-13/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 5-chloro-N-heptan-2-ylpentanamide?
5-chloro-N-heptan-2-ylpentanamide has a molecular weight of 233.78 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-heptan-2-ylpentanamide is sourced from PubChem (CID 43578895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).