N-(cyanomethyl)-2-fluoro-N-phenylbenzamide

C15H11FN2O — CID 82131953

IUPACN-(cyanomethyl)-2-fluoro-N-phenylbenzamide
SMILESN#CCN(C(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C15H11FN2O/c16-14-9-5-4-8-13(14)15(19)18(11-10-17)12-6-2-1-3-7-12/h1-9H,11H2
InChIKeyXEPAHSZSMSXYNY-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.00
Rot. Bonds3

About N-(cyanomethyl)-2-fluoro-N-phenylbenzamide

N-(cyanomethyl)-2-fluoro-N-phenylbenzamide (PubChem CID 82131953) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(cyanomethyl)-2-fluoro-N-phenylbenzamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-fluoro-N-phenylbenzamide
PubChem CID82131953
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC NameN-(cyanomethyl)-2-fluoro-N-phenylbenzamide
SMILESN#CCN(C(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C15H11FN2O/c16-14-9-5-4-8-13(14)15(19)18(11-10-17)12-6-2-1-3-7-12/h1-9H,11H2
InChIKeyXEPAHSZSMSXYNY-UHFFFAOYSA-N
XLogP3.00
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.00
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-(cyanomethyl)-2-methyl-N-phenylbenzamide
CID 82131459
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-fluorobenzoate
CID 7863913
2-fluoro-N-phenyl-N-prop-2-enylbenzamide
CID 78795026
N-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide
CID 82134140
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide
CID 86979034
N-(cyanomethyl)-2-methyl-N-phenylpropanamide
CID 82126045
N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 28769276
N-(cyanomethyl)-3,4-dimethyl-N-phenylbenzamide
CID 82133612
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602137
N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide
CID 43823022
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661354
N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide
CID 62648465

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-fluoro-N-phenylbenzamide?
The IUPAC name of N-(cyanomethyl)-2-fluoro-N-phenylbenzamide (CID 82131953) is N-(cyanomethyl)-2-fluoro-N-phenylbenzamide.
What is the SMILES notation for N-(cyanomethyl)-2-fluoro-N-phenylbenzamide?
The canonical SMILES for N-(cyanomethyl)-2-fluoro-N-phenylbenzamide is N#CCN(C(=O)c1ccccc1F)c1ccccc1.
What is the InChIKey of N-(cyanomethyl)-2-fluoro-N-phenylbenzamide?
The InChIKey is XEPAHSZSMSXYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-14-9-5-4-8-13(14)15(19)18(11-10-17)12-6-2-1-3-7-12/h1-9H,11H2.
What are the key properties of N-(cyanomethyl)-2-fluoro-N-phenylbenzamide?
N-(cyanomethyl)-2-fluoro-N-phenylbenzamide has a molecular weight of 254.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-fluoro-N-phenylbenzamide is sourced from PubChem (CID 82131953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).