N-(5-chloropentyl)dodecanamide

C17H34ClNO — CID 107321143

IUPACN-(5-chloropentyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCCCCCl
InChIInChI=1S/C17H34ClNO/c1-2-3-4-5-6-7-8-9-11-14-17(20)19-16-13-10-12-15-18/h2-16H2,1H3,(H,19,20)
InChIKeyQLKGJYTXVANIFT-UHFFFAOYSA-N
MW303.92 g/mol
LogP5.43
Rot. Bonds15

About N-(5-chloropentyl)dodecanamide

N-(5-chloropentyl)dodecanamide (PubChem CID 107321143) has the molecular formula C17H34ClNO and a molecular weight of 303.92 g/mol. Its IUPAC name is N-(5-chloropentyl)dodecanamide.

Molecular Properties

Compound NameN-(5-chloropentyl)dodecanamide
PubChem CID107321143
Molecular FormulaC17H34ClNO
Molecular Weight303.92 g/mol
Exact Mass303.23
IUPAC NameN-(5-chloropentyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCCCCCl
InChIInChI=1S/C17H34ClNO/c1-2-3-4-5-6-7-8-9-11-14-17(20)19-16-13-10-12-15-18/h2-16H2,1H3,(H,19,20)
InChIKeyQLKGJYTXVANIFT-UHFFFAOYSA-N
XLogP5.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.92
LogP ≤ 55.43
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-(3-chloropropyl)dodecanamide
CID 17164369
N-butyl-5-chloropentanamide
CID 28733165
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
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)dodecanamide?
The IUPAC name of N-(5-chloropentyl)dodecanamide (CID 107321143) is N-(5-chloropentyl)dodecanamide.
What is the SMILES notation for N-(5-chloropentyl)dodecanamide?
The canonical SMILES for N-(5-chloropentyl)dodecanamide is CCCCCCCCCCCC(=O)NCCCCCCl.
What is the InChIKey of N-(5-chloropentyl)dodecanamide?
The InChIKey is QLKGJYTXVANIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34ClNO/c1-2-3-4-5-6-7-8-9-11-14-17(20)19-16-13-10-12-15-18/h2-16H2,1H3,(H,19,20).
What are the key properties of N-(5-chloropentyl)dodecanamide?
N-(5-chloropentyl)dodecanamide has a molecular weight of 303.92 g/mol, XLogP of 5.43, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)dodecanamide is sourced from PubChem (CID 107321143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).