N-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide

C20H14FN3O — CID 112990032

IUPACN-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide
SMILESN#Cc1ccc(Nc2ccc(NC(=O)c3ccccc3F)cc2)cc1
InChIInChI=1S/C20H14FN3O/c21-19-4-2-1-3-18(19)20(25)24-17-11-9-16(10-12-17)23-15-7-5-14(13-22)6-8-15/h1-12,23H,(H,24,25)
InChIKeyPNJZCPIFLCTFQW-UHFFFAOYSA-N
MW331.35 g/mol
LogP4.69
Rot. Bonds4

About N-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide

N-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide (PubChem CID 112990032) has the molecular formula C20H14FN3O and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide
PubChem CID112990032
Molecular FormulaC20H14FN3O
Molecular Weight331.35 g/mol
Exact Mass331.11
IUPAC NameN-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide
SMILESN#Cc1ccc(Nc2ccc(NC(=O)c3ccccc3F)cc2)cc1
InChIInChI=1S/C20H14FN3O/c21-19-4-2-1-3-18(19)20(25)24-17-11-9-16(10-12-17)23-15-7-5-14(13-22)6-8-15/h1-12,23H,(H,24,25)
InChIKeyPNJZCPIFLCTFQW-UHFFFAOYSA-N
XLogP4.69
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide 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

N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660804
N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide
CID 5272227
N-(4-cyanophenyl)-2-fluoro-6-hydroxybenzamide
CID 104917041
[2-[(4-cyanophenyl)carbamoyl]phenyl]phosphonic acid
CID 122605278
N-[4-[1-(4-cyanophenyl)ethylcarbamoyl-sulfanylamino]phenyl]-2-fluorobenzamide
CID 57213198
N-(5-cyano-2-methylphenyl)-2-fluorobenzamide
CID 47475835
N-(4-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128394
N-(4-cyanophenyl)-2,3-dimethylbenzamide
CID 24705905
5-(4-cyanoanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109199006
2-bromo-N-[4-(3-cyanoanilino)phenyl]benzamide
CID 112989936
2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 577368
2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17340482

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide (CID 112990032) is N-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide is N#Cc1ccc(Nc2ccc(NC(=O)c3ccccc3F)cc2)cc1.
What is the InChIKey of N-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide?
The InChIKey is PNJZCPIFLCTFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O/c21-19-4-2-1-3-18(19)20(25)24-17-11-9-16(10-12-17)23-15-7-5-14(13-22)6-8-15/h1-12,23H,(H,24,25).
What are the key properties of N-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide?
N-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide has a molecular weight of 331.35 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 112990032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).