N-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide

C19H18FN3O3 — CID 109053814

IUPACN-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
SMILESO=CN1CCN(C(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C19H18FN3O3/c20-16-4-6-17(7-5-16)21-18(25)14-2-1-3-15(12-14)19(26)23-10-8-22(13-24)9-11-23/h1-7,12-13H,8-11H2,(H,21,25)
InChIKeyFXVWQOYGYNQLBR-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.99
Rot. Bonds4

About N-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide

N-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide (PubChem CID 109053814) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
PubChem CID109053814
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
SMILESO=CN1CCN(C(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C19H18FN3O3/c20-16-4-6-17(7-5-16)21-18(25)14-2-1-3-15(12-14)19(26)23-10-8-22(13-24)9-11-23/h1-7,12-13H,8-11H2,(H,21,25)
InChIKeyFXVWQOYGYNQLBR-UHFFFAOYSA-N
XLogP1.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053836
3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109053853
3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide
CID 109053830
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745
N-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053802
N-(3-acetylphenyl)-4-(4-formylpiperazine-1-carbonyl)benzamide
CID 109046418
N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053818
4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
CID 109053495
N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051768
N-(4-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053820
3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide
CID 109056732
3-fluoro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2971545

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide (CID 109053814) is N-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide is O=CN1CCN(C(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide?
The InChIKey is FXVWQOYGYNQLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c20-16-4-6-17(7-5-16)21-18(25)14-2-1-3-15(12-14)19(26)23-10-8-22(13-24)9-11-23/h1-7,12-13H,8-11H2,(H,21,25).
What are the key properties of N-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide?
N-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide has a molecular weight of 355.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109053814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).