N-(3-chloropropyl)dodecanamide

C15H30ClNO — CID 17164369

IUPACN-(3-chloropropyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCCCl
InChIInChI=1S/C15H30ClNO/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-14-11-13-16/h2-14H2,1H3,(H,17,18)
InChIKeyYUHHWJSNLUPZST-UHFFFAOYSA-N
MW275.86 g/mol
LogP4.65
Rot. Bonds13

About N-(3-chloropropyl)dodecanamide

N-(3-chloropropyl)dodecanamide (PubChem CID 17164369) has the molecular formula C15H30ClNO and a molecular weight of 275.86 g/mol. Its IUPAC name is N-(3-chloropropyl)dodecanamide.

Molecular Properties

Compound NameN-(3-chloropropyl)dodecanamide
PubChem CID17164369
Molecular FormulaC15H30ClNO
Molecular Weight275.86 g/mol
Exact Mass275.20
IUPAC NameN-(3-chloropropyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCCCl
InChIInChI=1S/C15H30ClNO/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-14-11-13-16/h2-14H2,1H3,(H,17,18)
InChIKeyYUHHWJSNLUPZST-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.86
LogP ≤ 54.65
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-nonylpentanamide
CID 91692760
N-(5-chloropentyl)dodecanamide
CID 107321143
N-butyl-5-chloropentanamide
CID 28733165
N-butyl-4-chlorobutanamide
CID 4218503
N-pentylicosanamide
CID 139961886
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)dodecanamide?
The IUPAC name of N-(3-chloropropyl)dodecanamide (CID 17164369) is N-(3-chloropropyl)dodecanamide.
What is the SMILES notation for N-(3-chloropropyl)dodecanamide?
The canonical SMILES for N-(3-chloropropyl)dodecanamide is CCCCCCCCCCCC(=O)NCCCCl.
What is the InChIKey of N-(3-chloropropyl)dodecanamide?
The InChIKey is YUHHWJSNLUPZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30ClNO/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-14-11-13-16/h2-14H2,1H3,(H,17,18).
What are the key properties of N-(3-chloropropyl)dodecanamide?
N-(3-chloropropyl)dodecanamide has a molecular weight of 275.86 g/mol, XLogP of 4.65, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)dodecanamide is sourced from PubChem (CID 17164369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).