4-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-nitrobenzamide

C19H19FN4O4 — CID 51192088

IUPAC4-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-nitrobenzamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(F)cc3)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H19FN4O4/c1-13(25)22-8-10-23(11-9-22)17-7-2-14(12-18(17)24(27)28)19(26)21-16-5-3-15(20)4-6-16/h2-7,12H,8-11H2,1H3,(H,21,26)
InChIKeyWWIORWORKRWQKQ-UHFFFAOYSA-N
MW386.38 g/mol
LogP2.65
Rot. Bonds4

About 4-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-nitrobenzamide

4-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-nitrobenzamide (PubChem CID 51192088) has the molecular formula C19H19FN4O4 and a molecular weight of 386.38 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-nitrobenzamide
PubChem CID51192088
Molecular FormulaC19H19FN4O4
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name4-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-nitrobenzamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(F)cc3)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H19FN4O4/c1-13(25)22-8-10-23(11-9-22)17-7-2-14(12-18(17)24(27)28)19(26)21-16-5-3-15(20)4-6-16/h2-7,12H,8-11H2,1H3,(H,21,26)
InChIKeyWWIORWORKRWQKQ-UHFFFAOYSA-N
XLogP2.65
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetylpiperazin-1-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-nitrobenzamide
CID 55713882
4-(4-acetylpiperazin-1-yl)-N-(6-amino-3-pyridinyl)-3-nitrobenzamide
CID 119515216
4-(4-acetylpiperazin-1-yl)-N-(6-amino-3-pyridinyl)-3-nitrobenzamide;hydrochloride
CID 119515215
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17118026
N-(4-acetylphenyl)-4-(azepan-1-yl)-3-nitrobenzamide
CID 7406902
4-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)-3-nitrobenzamide
CID 55375511
1-[4-(4-fluoro-2-nitrophenyl)piperazin-1-yl]ethanone;1-piperazin-1-ylethanone
CID 159833793
N-(4-carbamoylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 26253023
N-(4-benzamidophenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 4510251
4-(4-acetylpiperazin-1-yl)-3-nitro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 55413491
3-nitro-4-piperidin-1-yl-N-[4-(propanoylamino)phenyl]benzamide
CID 3307696
3-nitro-N-[4-(phenylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylbenzamide
CID 55527532

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-nitrobenzamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-nitrobenzamide (CID 51192088) is 4-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-nitrobenzamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-nitrobenzamide is CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(F)cc3)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-nitrobenzamide?
The InChIKey is WWIORWORKRWQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4/c1-13(25)22-8-10-23(11-9-22)17-7-2-14(12-18(17)24(27)28)19(26)21-16-5-3-15(20)4-6-16/h2-7,12H,8-11H2,1H3,(H,21,26).
What are the key properties of 4-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-nitrobenzamide?
4-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-nitrobenzamide has a molecular weight of 386.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-nitrobenzamide is sourced from PubChem (CID 51192088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).