2-chloro-N-(pentylcarbamoyl)acetamide

C8H15ClN2O2 — CID 19098902

IUPAC2-chloro-N-(pentylcarbamoyl)acetamide
SMILESCCCCCNC(=O)NC(=O)CCl
InChIInChI=1S/C8H15ClN2O2/c1-2-3-4-5-10-8(13)11-7(12)6-9/h2-6H2,1H3,(H2,10,11,12,13)
InChIKeyFGNJBOGFVZNYIT-UHFFFAOYSA-N
MW206.67 g/mol
LogP1.24
Rot. Bonds5

About 2-chloro-N-(pentylcarbamoyl)acetamide

2-chloro-N-(pentylcarbamoyl)acetamide (PubChem CID 19098902) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is 2-chloro-N-(pentylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(pentylcarbamoyl)acetamide
PubChem CID19098902
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name2-chloro-N-(pentylcarbamoyl)acetamide
SMILESCCCCCNC(=O)NC(=O)CCl
InChIInChI=1S/C8H15ClN2O2/c1-2-3-4-5-10-8(13)11-7(12)6-9/h2-6H2,1H3,(H2,10,11,12,13)
InChIKeyFGNJBOGFVZNYIT-UHFFFAOYSA-N
XLogP1.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 51.24
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-(pentylcarbamoyl)acetamide?
The IUPAC name of 2-chloro-N-(pentylcarbamoyl)acetamide (CID 19098902) is 2-chloro-N-(pentylcarbamoyl)acetamide.
What is the SMILES notation for 2-chloro-N-(pentylcarbamoyl)acetamide?
The canonical SMILES for 2-chloro-N-(pentylcarbamoyl)acetamide is CCCCCNC(=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(pentylcarbamoyl)acetamide?
The InChIKey is FGNJBOGFVZNYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O2/c1-2-3-4-5-10-8(13)11-7(12)6-9/h2-6H2,1H3,(H2,10,11,12,13).
What are the key properties of 2-chloro-N-(pentylcarbamoyl)acetamide?
2-chloro-N-(pentylcarbamoyl)acetamide has a molecular weight of 206.67 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pentylcarbamoyl)acetamide is sourced from PubChem (CID 19098902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).