4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide

C19H20FN3O — CID 959360

IUPAC4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide
SMILESCCN(CC)Cc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1
InChIInChI=1S/C19H20FN3O/c1-3-23(4-2)13-14-5-8-16(9-6-14)22-19(24)17-10-7-15(12-21)11-18(17)20/h5-11H,3-4,13H2,1-2H3,(H,22,24)
InChIKeyJBENPGXFKZKQCU-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.79
Rot. Bonds6

About 4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide

4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide (PubChem CID 959360) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide
PubChem CID959360
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide
SMILESCCN(CC)Cc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1
InChIInChI=1S/C19H20FN3O/c1-3-23(4-2)13-14-5-8-16(9-6-14)22-19(24)17-10-7-15(12-21)11-18(17)20/h5-11H,3-4,13H2,1-2H3,(H,22,24)
InChIKeyJBENPGXFKZKQCU-UHFFFAOYSA-N
XLogP3.79
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-cyano-N-[4-(diethylamino)-2-methylphenyl]-2-fluorobenzamide
CID 952855
4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide
CID 675546
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide
CID 3161433
4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide
CID 107794020
2-cyano-N-[4-(diethylaminomethyl)phenyl]acetamide
CID 168520957
4-cyano-2-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 2989901
4-cyano-2-fluoro-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 17118267
4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 833847
4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 2996023

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide?
The IUPAC name of 4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide (CID 959360) is 4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for 4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide is CCN(CC)Cc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1.
What is the InChIKey of 4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide?
The InChIKey is JBENPGXFKZKQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-3-23(4-2)13-14-5-8-16(9-6-14)22-19(24)17-10-7-15(12-21)11-18(17)20/h5-11H,3-4,13H2,1-2H3,(H,22,24).
What are the key properties of 4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide?
4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide has a molecular weight of 325.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 959360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).