2-chloro-N,N-di(nonyl)acetamide

C20H40ClNO — CID 533173

IUPAC2-chloro-N,N-di(nonyl)acetamide
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)CCl
InChIInChI=1S/C20H40ClNO/c1-3-5-7-9-11-13-15-17-22(20(23)19-21)18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3
InChIKeyMPFKIPYWOBSVSB-UHFFFAOYSA-N
MW346.00 g/mol
LogP6.55
Rot. Bonds17

About 2-chloro-N,N-di(nonyl)acetamide

2-chloro-N,N-di(nonyl)acetamide (PubChem CID 533173) has the molecular formula C20H40ClNO and a molecular weight of 346.00 g/mol. Its IUPAC name is 2-chloro-N,N-di(nonyl)acetamide.

Molecular Properties

Compound Name2-chloro-N,N-di(nonyl)acetamide
PubChem CID533173
Molecular FormulaC20H40ClNO
Molecular Weight346.00 g/mol
Exact Mass345.28
IUPAC Name2-chloro-N,N-di(nonyl)acetamide
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)CCl
InChIInChI=1S/C20H40ClNO/c1-3-5-7-9-11-13-15-17-22(20(23)19-21)18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3
InChIKeyMPFKIPYWOBSVSB-UHFFFAOYSA-N
XLogP6.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.00
LogP ≤ 56.55
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

2-chloro-N,N-bis[(Z)-octadec-9-enyl]acetamide
CID 162712758
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-di(undecyl)pentanamide
CID 532896
N,N-dioctyltetradecanamide
CID 169083302
2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate
CID 87317133
N-butyl-N-octyldecanamide
CID 18913402
2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
CID 71406470
N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide
CID 71346769
N,N,N',N'-tetrahexyloxamide
CID 6424911

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-di(nonyl)acetamide?
The IUPAC name of 2-chloro-N,N-di(nonyl)acetamide (CID 533173) is 2-chloro-N,N-di(nonyl)acetamide.
What is the SMILES notation for 2-chloro-N,N-di(nonyl)acetamide?
The canonical SMILES for 2-chloro-N,N-di(nonyl)acetamide is CCCCCCCCCN(CCCCCCCCC)C(=O)CCl.
What is the InChIKey of 2-chloro-N,N-di(nonyl)acetamide?
The InChIKey is MPFKIPYWOBSVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40ClNO/c1-3-5-7-9-11-13-15-17-22(20(23)19-21)18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3.
What are the key properties of 2-chloro-N,N-di(nonyl)acetamide?
2-chloro-N,N-di(nonyl)acetamide has a molecular weight of 346.00 g/mol, XLogP of 6.55, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-di(nonyl)acetamide is sourced from PubChem (CID 533173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).