N-chlorodocosanamide

C22H44ClNO — CID 141032944

IUPACN-chlorodocosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCl
InChIInChI=1S/C22H44ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(25)24-23/h2-21H2,1H3,(H,24,25)
InChIKeyZUYVNBDLAZEDLR-UHFFFAOYSA-N
MW374.05 g/mol
LogP8.08
Rot. Bonds20

About N-chlorodocosanamide

N-chlorodocosanamide (PubChem CID 141032944) has the molecular formula C22H44ClNO and a molecular weight of 374.05 g/mol. Its IUPAC name is N-chlorodocosanamide.

Molecular Properties

Compound NameN-chlorodocosanamide
PubChem CID141032944
Molecular FormulaC22H44ClNO
Molecular Weight374.05 g/mol
Exact Mass373.31
IUPAC NameN-chlorodocosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCl
InChIInChI=1S/C22H44ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(25)24-23/h2-21H2,1H3,(H,24,25)
InChIKeyZUYVNBDLAZEDLR-UHFFFAOYSA-N
XLogP8.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.05
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-chlorooctadec-9-enamide
CID 174372147
N-decanoyldecanamide
CID 87914075
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-methylheptacosanamide
CID 18175889
N-hydroxytridecanamide
CID 14122613
N-octanoyloctanamide;hydrobromide
CID 175059894
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
N-oxidotetradecanamide
CID 23094369
N-iodooctanamide
CID 19040107
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
N-sulfanylundecanamide
CID 122641714

Frequently Asked Questions

What is the IUPAC name of N-chlorodocosanamide?
The IUPAC name of N-chlorodocosanamide (CID 141032944) is N-chlorodocosanamide.
What is the SMILES notation for N-chlorodocosanamide?
The canonical SMILES for N-chlorodocosanamide is CCCCCCCCCCCCCCCCCCCCCC(=O)NCl.
What is the InChIKey of N-chlorodocosanamide?
The InChIKey is ZUYVNBDLAZEDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(25)24-23/h2-21H2,1H3,(H,24,25).
What are the key properties of N-chlorodocosanamide?
N-chlorodocosanamide has a molecular weight of 374.05 g/mol, XLogP of 8.08, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chlorodocosanamide is sourced from PubChem (CID 141032944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).