N-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide

C16H13FN2O — CID 82134140

IUPACN-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide
SMILESN#CCN(C(=O)Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H13FN2O/c17-14-8-6-13(7-9-14)12-16(20)19(11-10-18)15-4-2-1-3-5-15/h1-9H,11-12H2
InChIKeyLTQIORXZZURTKF-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.92
Rot. Bonds4

About N-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide

N-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide (PubChem CID 82134140) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide
PubChem CID82134140
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC NameN-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide
SMILESN#CCN(C(=O)Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H13FN2O/c17-14-8-6-13(7-9-14)12-16(20)19(11-10-18)15-4-2-1-3-5-15/h1-9H,11-12H2
InChIKeyLTQIORXZZURTKF-UHFFFAOYSA-N
XLogP2.92
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide
CID 24710774
N-(cyanomethyl)-2-fluoro-N-phenylbenzamide
CID 82131953
N-(cyanomethyl)-2-methyl-N-phenylpropanamide
CID 82126045
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(cyanomethyl)-N-phenylacetamide
CID 66211056
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-fluorobenzoate
CID 7863913
2-[cyanomethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]acetonitrile
CID 62051345
N-(cyanomethyl)-2-(3,4-dihydroxypyrrolidin-1-yl)-N-phenylacetamide
CID 106672579
2-[(4-chlorophenyl)methylsulfanyl]-N-(cyanomethyl)-N-phenylacetamide
CID 29432216
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8524791
N-(cyanomethyl)-2-[5-(4-fluorophenyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 30989726
N-(cyanomethyl)-2-methyl-N-phenylbenzamide
CID 82131459
N,2-bis(4-fluorophenyl)-N-[2-(2-phenylmethoxyphenyl)ethyl]acetamide
CID 23440757

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide?
The IUPAC name of N-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide (CID 82134140) is N-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide?
The canonical SMILES for N-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide is N#CCN(C(=O)Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide?
The InChIKey is LTQIORXZZURTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-14-8-6-13(7-9-14)12-16(20)19(11-10-18)15-4-2-1-3-5-15/h1-9H,11-12H2.
What are the key properties of N-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide?
N-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide has a molecular weight of 268.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide is sourced from PubChem (CID 82134140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).