6-chloro-N,N-di(nonyl)hexanamide

C24H48ClNO — CID 533347

IUPAC6-chloro-N,N-di(nonyl)hexanamide
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)CCCCCCl
InChIInChI=1S/C24H48ClNO/c1-3-5-7-9-11-13-18-22-26(24(27)20-16-15-17-21-25)23-19-14-12-10-8-6-4-2/h3-23H2,1-2H3
InChIKeyARRDNVVGNRQBES-UHFFFAOYSA-N
MW402.11 g/mol
LogP8.12
Rot. Bonds21

About 6-chloro-N,N-di(nonyl)hexanamide

6-chloro-N,N-di(nonyl)hexanamide (PubChem CID 533347) has the molecular formula C24H48ClNO and a molecular weight of 402.11 g/mol. Its IUPAC name is 6-chloro-N,N-di(nonyl)hexanamide.

Molecular Properties

Compound Name6-chloro-N,N-di(nonyl)hexanamide
PubChem CID533347
Molecular FormulaC24H48ClNO
Molecular Weight402.11 g/mol
Exact Mass401.34
IUPAC Name6-chloro-N,N-di(nonyl)hexanamide
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)CCCCCCl
InChIInChI=1S/C24H48ClNO/c1-3-5-7-9-11-13-18-22-26(24(27)20-16-15-17-21-25)23-19-14-12-10-8-6-4-2/h3-23H2,1-2H3
InChIKeyARRDNVVGNRQBES-UHFFFAOYSA-N
XLogP8.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.11
LogP ≤ 58.12
H-Bond Donors ≤ 50
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

N-(3-chloropropyl)hexadecanamide
CID 10925606
N,N-Dioctylhexanamide
CID 588480
N-(2-Chloroethyl)-N-methyldodecanamide
CID 3020139
Propanamide, N-heptyl-N-octyl-2-chloro-
CID 533085
Propanamide, N,N-dioctyl-2-chloro-
CID 533086
Propanamide, N,N-dinonyl-2-chloro-
CID 533087
Propanamide, N,N-didecyl-2-chloro-
CID 533088
Propanamide, N,N-diundecyl-2-chloro-
CID 533089
Propanamide, N-decyl-N-methyl-3-chloro-
CID 533193
Propanamide, N,N-diheptyl-3-chloro-
CID 533195
Propanamide, N-heptyl-N-octyl-3-chloro-
CID 533196
Propanamide, N,N-dioctyl-3-chloro-
CID 533197

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-di(nonyl)hexanamide?
The IUPAC name of 6-chloro-N,N-di(nonyl)hexanamide (CID 533347) is 6-chloro-N,N-di(nonyl)hexanamide.
What is the SMILES notation for 6-chloro-N,N-di(nonyl)hexanamide?
The canonical SMILES for 6-chloro-N,N-di(nonyl)hexanamide is CCCCCCCCCN(CCCCCCCCC)C(=O)CCCCCCl.
What is the InChIKey of 6-chloro-N,N-di(nonyl)hexanamide?
The InChIKey is ARRDNVVGNRQBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48ClNO/c1-3-5-7-9-11-13-18-22-26(24(27)20-16-15-17-21-25)23-19-14-12-10-8-6-4-2/h3-23H2,1-2H3.
What are the key properties of 6-chloro-N,N-di(nonyl)hexanamide?
6-chloro-N,N-di(nonyl)hexanamide has a molecular weight of 402.11 g/mol, XLogP of 8.12, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-di(nonyl)hexanamide is sourced from PubChem (CID 533347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).