N-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide

C16H13FN2O — CID 62515692

IUPACN-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2ccc(CC#N)cc2)c1
InChIInChI=1S/C16H13FN2O/c1-11-2-7-15(17)14(10-11)16(20)19-13-5-3-12(4-6-13)8-9-18/h2-7,10H,8H2,1H3,(H,19,20)
InChIKeyAXUQLENLBBMZDU-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.45
Rot. Bonds3

About N-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide

N-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide (PubChem CID 62515692) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide
PubChem CID62515692
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2ccc(CC#N)cc2)c1
InChIInChI=1S/C16H13FN2O/c1-11-2-7-15(17)14(10-11)16(20)19-13-5-3-12(4-6-13)8-9-18/h2-7,10H,8H2,1H3,(H,19,20)
InChIKeyAXUQLENLBBMZDU-UHFFFAOYSA-N
XLogP3.45
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
N-[4-(cyanomethyl)phenyl]-2,6-difluoro-3-methylbenzamide
CID 82797666
N-(4-chloro-3-cyanophenyl)-2-fluoro-5-methylbenzamide
CID 62510457
N-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide
CID 62662482
2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
CID 62510659
2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide
CID 64780308
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 60682495
N-[4-(cyanomethyl)phenyl]-2-methylsulfanylbenzamide
CID 2229918
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 7604448
2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide
CID 60615705
N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide
CID 78950821

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide (CID 62515692) is N-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)Nc2ccc(CC#N)cc2)c1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide?
The InChIKey is AXUQLENLBBMZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-11-2-7-15(17)14(10-11)16(20)19-13-5-3-12(4-6-13)8-9-18/h2-7,10H,8H2,1H3,(H,19,20).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide?
N-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide has a molecular weight of 268.29 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 62515692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).