2-chloro-N-dotriacontylacetamide

C34H68ClNO — CID 163206961

IUPAC2-chloro-N-dotriacontylacetamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNC(=O)CCl
InChIInChI=1S/C34H68ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-36-34(37)33-35/h2-33H2,1H3,(H,36,37)
InChIKeyNTTNDCAGFOGJBG-UHFFFAOYSA-N
MW542.38 g/mol
LogP12.06
Rot. Bonds32

About 2-chloro-N-dotriacontylacetamide

2-chloro-N-dotriacontylacetamide (PubChem CID 163206961) has the molecular formula C34H68ClNO and a molecular weight of 542.38 g/mol. Its IUPAC name is 2-chloro-N-dotriacontylacetamide.

Molecular Properties

Compound Name2-chloro-N-dotriacontylacetamide
PubChem CID163206961
Molecular FormulaC34H68ClNO
Molecular Weight542.38 g/mol
Exact Mass541.50
IUPAC Name2-chloro-N-dotriacontylacetamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNC(=O)CCl
InChIInChI=1S/C34H68ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-36-34(37)33-35/h2-33H2,1H3,(H,36,37)
InChIKeyNTTNDCAGFOGJBG-UHFFFAOYSA-N
XLogP12.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds32
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.38
LogP ≤ 512.06
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 2-chloro-N-dotriacontylacetamide 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-[7-[(2-chloroacetyl)amino]heptyl]propanamide
CID 163838006
5-chloro-N-nonylpentanamide
CID 91692760
N-(5-chloropentyl)dodecanamide
CID 107321143
ethane;N-undecylpropanamide
CID 155706114
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N'-heptyl-N-hexylpentanediamide
CID 154688669
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-dotriacontylacetamide?
The IUPAC name of 2-chloro-N-dotriacontylacetamide (CID 163206961) is 2-chloro-N-dotriacontylacetamide.
What is the SMILES notation for 2-chloro-N-dotriacontylacetamide?
The canonical SMILES for 2-chloro-N-dotriacontylacetamide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNC(=O)CCl.
What is the InChIKey of 2-chloro-N-dotriacontylacetamide?
The InChIKey is NTTNDCAGFOGJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-36-34(37)33-35/h2-33H2,1H3,(H,36,37).
What are the key properties of 2-chloro-N-dotriacontylacetamide?
2-chloro-N-dotriacontylacetamide has a molecular weight of 542.38 g/mol, XLogP of 12.06, 32 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-dotriacontylacetamide is sourced from PubChem (CID 163206961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).