2-chloro-N-(1-cyanobutyl)-2-fluoroacetamide

C7H10ClFN2O — CID 166334719

IUPAC2-chloro-N-(1-cyanobutyl)-2-fluoroacetamide
SMILESCCCC(C#N)NC(=O)C(F)Cl
InChIInChI=1S/C7H10ClFN2O/c1-2-3-5(4-10)11-7(12)6(8)9/h5-6H,2-3H2,1H3,(H,11,12)
InChIKeyJBHQRULQCWVHIX-UHFFFAOYSA-N
MW192.62 g/mol
LogP1.33
Rot. Bonds4

About 2-chloro-N-(1-cyanobutyl)-2-fluoroacetamide

2-chloro-N-(1-cyanobutyl)-2-fluoroacetamide (PubChem CID 166334719) has the molecular formula C7H10ClFN2O and a molecular weight of 192.62 g/mol. Its IUPAC name is 2-chloro-N-(1-cyanobutyl)-2-fluoroacetamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyanobutyl)-2-fluoroacetamide
PubChem CID166334719
Molecular FormulaC7H10ClFN2O
Molecular Weight192.62 g/mol
Exact Mass192.05
IUPAC Name2-chloro-N-(1-cyanobutyl)-2-fluoroacetamide
SMILESCCCC(C#N)NC(=O)C(F)Cl
InChIInChI=1S/C7H10ClFN2O/c1-2-3-5(4-10)11-7(12)6(8)9/h5-6H,2-3H2,1H3,(H,11,12)
InChIKeyJBHQRULQCWVHIX-UHFFFAOYSA-N
XLogP1.33
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.62
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(pentan-2-yl)acetamide
CID 4048512
2-chloro-N-(1-cyanopropyl)-2,2-difluoroacetamide
CID 130621073
2-chloro-N-[(1R)-1-cyanopropyl]-2,2-difluoroacetamide
CID 130736382
2-chloro-N-[(1S)-1-cyanopropyl]-2,2-difluoroacetamide
CID 130741742
2-chloro-N-(1-cyano-3-methylbutyl)-2-fluoroacetamide
CID 166334676
2-chloro-N-(1-cyanobutan-2-yl)-2-fluoroacetamide
CID 166334688
2-chloro-N-(1-cyanobutan-2-yl)acetamide
CID 62648288
2-chloro-N-(4-cyanobutyl)acetamide
CID 64420111
2-chloro-N-(1-cyanobutyl)acetamide
CID 123734421
2-chloro-N-[(2R)-1-cyanobutan-2-yl]acetamide
CID 140002297
2-chloro-2-cyano-N-propan-2-ylacetamide
CID 140088204
2-chloro-N-[(2S)-pentan-2-yl]acetamide
CID 2384211

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyanobutyl)-2-fluoroacetamide?
The IUPAC name of 2-chloro-N-(1-cyanobutyl)-2-fluoroacetamide (CID 166334719) is 2-chloro-N-(1-cyanobutyl)-2-fluoroacetamide.
What is the SMILES notation for 2-chloro-N-(1-cyanobutyl)-2-fluoroacetamide?
The canonical SMILES for 2-chloro-N-(1-cyanobutyl)-2-fluoroacetamide is CCCC(C#N)NC(=O)C(F)Cl.
What is the InChIKey of 2-chloro-N-(1-cyanobutyl)-2-fluoroacetamide?
The InChIKey is JBHQRULQCWVHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClFN2O/c1-2-3-5(4-10)11-7(12)6(8)9/h5-6H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-chloro-N-(1-cyanobutyl)-2-fluoroacetamide?
2-chloro-N-(1-cyanobutyl)-2-fluoroacetamide has a molecular weight of 192.62 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyanobutyl)-2-fluoroacetamide is sourced from PubChem (CID 166334719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).