N-(3-chloropropyl)-2-ethylhexanamide

C11H22ClNO — CID 3414643

IUPACN-(3-chloropropyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCCCCl
InChIInChI=1S/C11H22ClNO/c1-3-5-7-10(4-2)11(14)13-9-6-8-12/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyUNFMRODBYVUZOE-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.95
Rot. Bonds8

About N-(3-chloropropyl)-2-ethylhexanamide

N-(3-chloropropyl)-2-ethylhexanamide (PubChem CID 3414643) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-ethylhexanamide
PubChem CID3414643
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC NameN-(3-chloropropyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCCCCl
InChIInChI=1S/C11H22ClNO/c1-3-5-7-10(4-2)11(14)13-9-6-8-12/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyUNFMRODBYVUZOE-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 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 ≤ 52.95
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 N-(3-chloropropyl)-2-ethylhexanamide?
The IUPAC name of N-(3-chloropropyl)-2-ethylhexanamide (CID 3414643) is N-(3-chloropropyl)-2-ethylhexanamide.
What is the SMILES notation for N-(3-chloropropyl)-2-ethylhexanamide?
The canonical SMILES for N-(3-chloropropyl)-2-ethylhexanamide is CCCCC(CC)C(=O)NCCCCl.
What is the InChIKey of N-(3-chloropropyl)-2-ethylhexanamide?
The InChIKey is UNFMRODBYVUZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-3-5-7-10(4-2)11(14)13-9-6-8-12/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-(3-chloropropyl)-2-ethylhexanamide?
N-(3-chloropropyl)-2-ethylhexanamide has a molecular weight of 219.76 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-ethylhexanamide is sourced from PubChem (CID 3414643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).