5-chloro-N-nonylpentanamide

C14H28ClNO — CID 91692760

IUPAC5-chloro-N-nonylpentanamide
SMILESCCCCCCCCCNC(=O)CCCCCl
InChIInChI=1S/C14H28ClNO/c1-2-3-4-5-6-7-10-13-16-14(17)11-8-9-12-15/h2-13H2,1H3,(H,16,17)
InChIKeyCEAWHJLIVQMEFZ-UHFFFAOYSA-N
MW261.84 g/mol
LogP4.26
Rot. Bonds12

About 5-chloro-N-nonylpentanamide

5-chloro-N-nonylpentanamide (PubChem CID 91692760) has the molecular formula C14H28ClNO and a molecular weight of 261.84 g/mol. Its IUPAC name is 5-chloro-N-nonylpentanamide.

Molecular Properties

Compound Name5-chloro-N-nonylpentanamide
PubChem CID91692760
Molecular FormulaC14H28ClNO
Molecular Weight261.84 g/mol
Exact Mass261.19
IUPAC Name5-chloro-N-nonylpentanamide
SMILESCCCCCCCCCNC(=O)CCCCCl
InChIInChI=1S/C14H28ClNO/c1-2-3-4-5-6-7-10-13-16-14(17)11-8-9-12-15/h2-13H2,1H3,(H,16,17)
InChIKeyCEAWHJLIVQMEFZ-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.84
LogP ≤ 54.26
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'}

Analyze 5-chloro-N-nonylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloropentyl)dodecanamide
CID 107321143
N-(3-chloropropyl)dodecanamide
CID 17164369
N-butyl-5-chloropentanamide
CID 28733165
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-nonylpentanamide?
The IUPAC name of 5-chloro-N-nonylpentanamide (CID 91692760) is 5-chloro-N-nonylpentanamide.
What is the SMILES notation for 5-chloro-N-nonylpentanamide?
The canonical SMILES for 5-chloro-N-nonylpentanamide is CCCCCCCCCNC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-nonylpentanamide?
The InChIKey is CEAWHJLIVQMEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO/c1-2-3-4-5-6-7-10-13-16-14(17)11-8-9-12-15/h2-13H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-nonylpentanamide?
5-chloro-N-nonylpentanamide has a molecular weight of 261.84 g/mol, XLogP of 4.26, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-nonylpentanamide is sourced from PubChem (CID 91692760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).