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

C20H19FN4O2 — CID 2996936

IUPACN-[2-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C#N)cc2F)CC1
InChIInChI=1S/C20H19FN4O2/c1-14(26)24-8-10-25(11-9-24)19-5-3-2-4-18(19)23-20(27)16-7-6-15(13-22)12-17(16)21/h2-7,12H,8-11H2,1H3,(H,23,27)
InChIKeyHNOMQERPFHOANT-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.62
Rot. Bonds3

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

N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide (PubChem CID 2996936) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide
PubChem CID2996936
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C#N)cc2F)CC1
InChIInChI=1S/C20H19FN4O2/c1-14(26)24-8-10-25(11-9-24)19-5-3-2-4-18(19)23-20(27)16-7-6-15(13-22)12-17(16)21/h2-7,12H,8-11H2,1H3,(H,23,27)
InChIKeyHNOMQERPFHOANT-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

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Related Compounds

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CID 56965342
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CID 57399426
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CID 57400694
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CID 11283686
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CID 11632945
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CID 126483592

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide (CID 2996936) is N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide is CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C#N)cc2F)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide?
The InChIKey is HNOMQERPFHOANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-14(26)24-8-10-25(11-9-24)19-5-3-2-4-18(19)23-20(27)16-7-6-15(13-22)12-17(16)21/h2-7,12H,8-11H2,1H3,(H,23,27).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide?
N-[2-(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-[2-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide is sourced from PubChem (CID 2996936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).