2-chloro-N-(dodecylcarbamoyl)acetamide

C15H29ClN2O2 — CID 11001221

IUPAC2-chloro-N-(dodecylcarbamoyl)acetamide
SMILESCCCCCCCCCCCCNC(=O)NC(=O)CCl
InChIInChI=1S/C15H29ClN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-15(20)18-14(19)13-16/h2-13H2,1H3,(H2,17,18,19,20)
InChIKeyGFABQDLYPAXTDM-UHFFFAOYSA-N
MW304.86 g/mol
LogP3.97
Rot. Bonds12

About 2-chloro-N-(dodecylcarbamoyl)acetamide

2-chloro-N-(dodecylcarbamoyl)acetamide (PubChem CID 11001221) has the molecular formula C15H29ClN2O2 and a molecular weight of 304.86 g/mol. Its IUPAC name is 2-chloro-N-(dodecylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(dodecylcarbamoyl)acetamide
PubChem CID11001221
Molecular FormulaC15H29ClN2O2
Molecular Weight304.86 g/mol
Exact Mass304.19
IUPAC Name2-chloro-N-(dodecylcarbamoyl)acetamide
SMILESCCCCCCCCCCCCNC(=O)NC(=O)CCl
InChIInChI=1S/C15H29ClN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-15(20)18-14(19)13-16/h2-13H2,1H3,(H2,17,18,19,20)
InChIKeyGFABQDLYPAXTDM-UHFFFAOYSA-N
XLogP3.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(dodecylcarbamoyl)acetamide?
The IUPAC name of 2-chloro-N-(dodecylcarbamoyl)acetamide (CID 11001221) is 2-chloro-N-(dodecylcarbamoyl)acetamide.
What is the SMILES notation for 2-chloro-N-(dodecylcarbamoyl)acetamide?
The canonical SMILES for 2-chloro-N-(dodecylcarbamoyl)acetamide is CCCCCCCCCCCCNC(=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(dodecylcarbamoyl)acetamide?
The InChIKey is GFABQDLYPAXTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29ClN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-15(20)18-14(19)13-16/h2-13H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-chloro-N-(dodecylcarbamoyl)acetamide?
2-chloro-N-(dodecylcarbamoyl)acetamide has a molecular weight of 304.86 g/mol, XLogP of 3.97, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(dodecylcarbamoyl)acetamide is sourced from PubChem (CID 11001221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).