N-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide

C13H13FN2O — CID 63822321

IUPACN-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide
SMILESN#CC(NC(=O)Cc1ccccc1F)C1CC1
InChIInChI=1S/C13H13FN2O/c14-11-4-2-1-3-10(11)7-13(17)16-12(8-15)9-5-6-9/h1-4,9,12H,5-7H2,(H,16,17)
InChIKeyMZCOYMZKFIEGQA-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.79
Rot. Bonds4

About N-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide

N-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide (PubChem CID 63822321) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is N-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide
PubChem CID63822321
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC NameN-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide
SMILESN#CC(NC(=O)Cc1ccccc1F)C1CC1
InChIInChI=1S/C13H13FN2O/c14-11-4-2-1-3-10(11)7-13(17)16-12(8-15)9-5-6-9/h1-4,9,12H,5-7H2,(H,16,17)
InChIKeyMZCOYMZKFIEGQA-UHFFFAOYSA-N
XLogP1.79
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide
CID 63822496
N-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide
CID 63821795
2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799919
N-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide
CID 61123203
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
N-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide
CID 170087415
N-[cyano(cyclopropyl)methyl]-2,2-difluoroacetamide
CID 103513774
2-(2-fluorophenyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 11888542
N-[cyano(cyclopropyl)methyl]-3,3,3-trifluoropropanamide
CID 63821426
N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 62093310
2-cyclopentyl-2-(2-fluoroanilino)acetonitrile
CID 62071587

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide (CID 63822321) is N-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide is N#CC(NC(=O)Cc1ccccc1F)C1CC1.
What is the InChIKey of N-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is MZCOYMZKFIEGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-11-4-2-1-3-10(11)7-13(17)16-12(8-15)9-5-6-9/h1-4,9,12H,5-7H2,(H,16,17).
What are the key properties of N-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide?
N-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 232.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 63822321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).