3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide

C19H16F3N3O3 — CID 109053853

IUPAC3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
SMILESO=CN1CCN(C(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3F)c2)CC1
InChIInChI=1S/C19H16F3N3O3/c20-14-4-5-15(17(22)16(14)21)23-18(27)12-2-1-3-13(10-12)19(28)25-8-6-24(11-26)7-9-25/h1-5,10-11H,6-9H2,(H,23,27)
InChIKeyRUKOQJZOMHILHJ-UHFFFAOYSA-N
MW391.35 g/mol
LogP2.27
Rot. Bonds4

About 3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide

3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 109053853) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is 3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID109053853
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
SMILESO=CN1CCN(C(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3F)c2)CC1
InChIInChI=1S/C19H16F3N3O3/c20-14-4-5-15(17(22)16(14)21)23-18(27)12-2-1-3-13(10-12)19(28)25-8-6-24(11-26)7-9-25/h1-5,10-11H,6-9H2,(H,23,27)
InChIKeyRUKOQJZOMHILHJ-UHFFFAOYSA-N
XLogP2.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053820
N-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053814
N-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053802
N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053818
3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide
CID 109053846
3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide
CID 109053830
N-(4-acetylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053836
4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109044714
4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
CID 109053495
3-N-cyclopentyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109051962
2-(morpholine-4-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109083105
N-(3-acetylphenyl)-4-(4-formylpiperazine-1-carbonyl)benzamide
CID 109046418

Frequently Asked Questions

What is the IUPAC name of 3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide (CID 109053853) is 3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide is O=CN1CCN(C(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3F)c2)CC1.
What is the InChIKey of 3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is RUKOQJZOMHILHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c20-14-4-5-15(17(22)16(14)21)23-18(27)12-2-1-3-13(10-12)19(28)25-8-6-24(11-26)7-9-25/h1-5,10-11H,6-9H2,(H,23,27).
What are the key properties of 3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide?
3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 391.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 109053853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).