4-chloro-3-propyloctanamide

C11H22ClNO — CID 174612729

IUPAC4-chloro-3-propyloctanamide
SMILESCCCCC(Cl)C(CCC)CC(N)=O
InChIInChI=1S/C11H22ClNO/c1-3-5-7-10(12)9(6-4-2)8-11(13)14/h9-10H,3-8H2,1-2H3,(H2,13,14)
InChIKeyQGPWKNDCULGSMF-UHFFFAOYSA-N
MW219.76 g/mol
LogP3.08
Rot. Bonds8

About 4-chloro-3-propyloctanamide

4-chloro-3-propyloctanamide (PubChem CID 174612729) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 4-chloro-3-propyloctanamide.

Molecular Properties

Compound Name4-chloro-3-propyloctanamide
PubChem CID174612729
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name4-chloro-3-propyloctanamide
SMILESCCCCC(Cl)C(CCC)CC(N)=O
InChIInChI=1S/C11H22ClNO/c1-3-5-7-10(12)9(6-4-2)8-11(13)14/h9-10H,3-8H2,1-2H3,(H2,13,14)
InChIKeyQGPWKNDCULGSMF-UHFFFAOYSA-N
XLogP3.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloroheptanamide
CID 174735984
CID 151540962
CID 151540962
3-propyloctanamide
CID 87886173
3-(methylamino)heptanamide
CID 65236742
3-tetradecylheptadecanamide
CID 89491134
3-aminoundecanamide
CID 154005326
3-phenylheptanamide
CID 91447364
2-propylhexanamide
CID 19818979
(3S)-3-[amino-(4-heptylphenyl)methyl]heptanamide
CID 67621306
2-amino-N-octan-4-ylbutanediamide
CID 113288677
(5S,6R)-5-chloro-6-iododecane
CID 15584088
2-butylpropanediamide
CID 2317243

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-propyloctanamide?
The IUPAC name of 4-chloro-3-propyloctanamide (CID 174612729) is 4-chloro-3-propyloctanamide.
What is the SMILES notation for 4-chloro-3-propyloctanamide?
The canonical SMILES for 4-chloro-3-propyloctanamide is CCCCC(Cl)C(CCC)CC(N)=O.
What is the InChIKey of 4-chloro-3-propyloctanamide?
The InChIKey is QGPWKNDCULGSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-3-5-7-10(12)9(6-4-2)8-11(13)14/h9-10H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 4-chloro-3-propyloctanamide?
4-chloro-3-propyloctanamide has a molecular weight of 219.76 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-propyloctanamide is sourced from PubChem (CID 174612729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).