N-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide

C16H13FN2O — CID 82123298

IUPACN-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1F)C(C#N)c1ccccc1
InChIInChI=1S/C16H13FN2O/c1-19(15(11-18)12-7-3-2-4-8-12)16(20)13-9-5-6-10-14(13)17/h2-10,15H,1H3
InChIKeyWYZCVUCNVSKKQA-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.16
Rot. Bonds3

About N-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide

N-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide (PubChem CID 82123298) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is N-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide
PubChem CID82123298
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC NameN-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1F)C(C#N)c1ccccc1
InChIInChI=1S/C16H13FN2O/c1-19(15(11-18)12-7-3-2-4-8-12)16(20)13-9-5-6-10-14(13)17/h2-10,15H,1H3
InChIKeyWYZCVUCNVSKKQA-UHFFFAOYSA-N
XLogP3.16
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano-(2-fluorophenyl)methyl]-N-methylacetamide
CID 82112840
N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide
CID 3415360
N-[cyano(phenyl)methyl]-N-methyloxolane-2-carboxamide
CID 82118036
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 60794014
N-[cyano-(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 82118903
N-[cyano(phenyl)methyl]-N-[2-[[cyano(phenyl)methyl]-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 51351092
N-(cyanomethyl)-2-fluoro-N-phenylbenzamide
CID 82131953
2-chloro-N-(3-chloropropyl)-N-[cyano(phenyl)methyl]benzamide
CID 3774980
N-[cyano-(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 82118902
5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 61111567
N-[cyano(phenyl)methyl]-N-methylmethanesulfonamide
CID 82114950
3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334238

Frequently Asked Questions

What is the IUPAC name of N-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of N-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide (CID 82123298) is N-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for N-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide is CN(C(=O)c1ccccc1F)C(C#N)c1ccccc1.
What is the InChIKey of N-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide?
The InChIKey is WYZCVUCNVSKKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-19(15(11-18)12-7-3-2-4-8-12)16(20)13-9-5-6-10-14(13)17/h2-10,15H,1H3.
What are the key properties of N-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide?
N-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide has a molecular weight of 268.29 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 82123298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).