N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide

C20H19FN4O2 — CID 3161433

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3F)cc2)CC1
InChIInChI=1S/C20H19FN4O2/c1-14(26)24-8-10-25(11-9-24)17-5-3-16(4-6-17)23-20(27)18-7-2-15(13-22)12-19(18)21/h2-7,12H,8-11H2,1H3,(H,23,27)
InChIKeyUNPNJEVYKDHSOU-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.62
Rot. Bonds3

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide (PubChem CID 3161433) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide
PubChem CID3161433
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3F)cc2)CC1
InChIInChI=1S/C20H19FN4O2/c1-14(26)24-8-10-25(11-9-24)17-5-3-16(4-6-17)23-20(27)18-7-2-15(13-22)12-19(18)21/h2-7,12H,8-11H2,1H3,(H,23,27)
InChIKeyUNPNJEVYKDHSOU-UHFFFAOYSA-N
XLogP2.62
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-piperidin-1-ylphenyl)benzamide
CID 675546
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-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]benzamide
CID 1299535
4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 2996023
[4-[(4-cyano-2-fluorobenzoyl)amino]phenyl] acetate
CID 23881794
4-cyano-N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 2995098
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide
CID 959360
2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17273892
4-cyano-2-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 7380488
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-cyano-2-fluorobenzamide
CID 17066142
N-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949553

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide (CID 3161433) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide is CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3F)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide?
The InChIKey is UNPNJEVYKDHSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-14(26)24-8-10-25(11-9-24)17-5-3-16(4-6-17)23-20(27)18-7-2-15(13-22)12-19(18)21/h2-7,12H,8-11H2,1H3,(H,23,27).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide has a molecular weight of 366.40 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide is sourced from PubChem (CID 3161433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).