4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide

C19H18FN3O — CID 675546

IUPAC4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(F)c1
InChIInChI=1S/C19H18FN3O/c20-18-12-14(13-21)4-9-17(18)19(24)22-15-5-7-16(8-6-15)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11H2,(H,22,24)
InChIKeyLKBZSHWAZYAYHO-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.94
Rot. Bonds3

About 4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide

4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide (PubChem CID 675546) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide
PubChem CID675546
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(F)c1
InChIInChI=1S/C19H18FN3O/c20-18-12-14(13-21)4-9-17(18)19(24)22-15-5-7-16(8-6-15)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11H2,(H,22,24)
InChIKeyLKBZSHWAZYAYHO-UHFFFAOYSA-N
XLogP3.94
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-cyano-2-fluoro-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 17118267
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide
CID 3161433
4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 2996023
4-cyano-2-fluoro-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]benzamide
CID 1299535
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide
CID 2301869
5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109196949
4-cyano-N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 2995098
[4-[(4-cyano-2-fluorobenzoyl)amino]phenyl] acetate
CID 23881794
4-cyano-2-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 7380488
5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246057
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 37221907
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide
CID 109178749

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide (CID 675546) is 4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide is N#Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(F)c1.
What is the InChIKey of 4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide?
The InChIKey is LKBZSHWAZYAYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-18-12-14(13-21)4-9-17(18)19(24)22-15-5-7-16(8-6-15)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11H2,(H,22,24).
What are the key properties of 4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide?
4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide has a molecular weight of 323.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 675546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).