4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide

C20H20FN3O — CID 2996023

IUPAC4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide
SMILESCC1CCCCN1c1ccc(NC(=O)c2ccc(C#N)cc2F)cc1
InChIInChI=1S/C20H20FN3O/c1-14-4-2-3-11-24(14)17-8-6-16(7-9-17)23-20(25)18-10-5-15(13-22)12-19(18)21/h5-10,12,14H,2-4,11H2,1H3,(H,23,25)
InChIKeySKIURGXESIFBMW-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.33
Rot. Bonds3

About 4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide

4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide (PubChem CID 2996023) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide
PubChem CID2996023
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide
SMILESCC1CCCCN1c1ccc(NC(=O)c2ccc(C#N)cc2F)cc1
InChIInChI=1S/C20H20FN3O/c1-14-4-2-3-11-24(14)17-8-6-16(7-9-17)23-20(25)18-10-5-15(13-22)12-19(18)21/h5-10,12,14H,2-4,11H2,1H3,(H,23,25)
InChIKeySKIURGXESIFBMW-UHFFFAOYSA-N
XLogP4.33
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-cyano-2-fluoro-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 17118267
3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 17102832
4-cyano-N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 2995098
[4-[(4-cyano-2-fluorobenzoyl)amino]phenyl] acetate
CID 23881794
N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]naphthalene-2-carboxamide
CID 40922093
2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 40922123
3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide
CID 40864687
4-cyano-2-fluoro-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]benzamide
CID 1299535
N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide
CID 26018303
4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide
CID 959360

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide (CID 2996023) is 4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide is CC1CCCCN1c1ccc(NC(=O)c2ccc(C#N)cc2F)cc1.
What is the InChIKey of 4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide?
The InChIKey is SKIURGXESIFBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14-4-2-3-11-24(14)17-8-6-16(7-9-17)23-20(25)18-10-5-15(13-22)12-19(18)21/h5-10,12,14H,2-4,11H2,1H3,(H,23,25).
What are the key properties of 4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide?
4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide has a molecular weight of 337.40 g/mol, XLogP of 4.33, 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-(2-methylpiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 2996023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).