3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide

C19H20FN3O2 — CID 39162973

IUPAC3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(=O)N2CCNCC2)cc1)c1cccc(F)c1
InChIInChI=1S/C19H20FN3O2/c20-17-3-1-2-16(12-17)18(24)22-13-14-4-6-15(7-5-14)19(25)23-10-8-21-9-11-23/h1-7,12,21H,8-11,13H2,(H,22,24)
InChIKeyQOEHVYQLKKYJJP-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.80
Rot. Bonds4

About 3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide

3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide (PubChem CID 39162973) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide
PubChem CID39162973
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(=O)N2CCNCC2)cc1)c1cccc(F)c1
InChIInChI=1S/C19H20FN3O2/c20-17-3-1-2-16(12-17)18(24)22-13-14-4-6-15(7-5-14)19(25)23-10-8-21-9-11-23/h1-7,12,21H,8-11,13H2,(H,22,24)
InChIKeyQOEHVYQLKKYJJP-UHFFFAOYSA-N
XLogP1.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454984
N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
CID 54936495
3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 134039269
3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide
CID 4919610
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide
CID 110397771
3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide
CID 92568482
5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 30871693
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide
CID 39162933
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 43603186

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide (CID 39162973) is 3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide is O=C(NCc1ccc(C(=O)N2CCNCC2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide?
The InChIKey is QOEHVYQLKKYJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-17-3-1-2-16(12-17)18(24)22-13-14-4-6-15(7-5-14)19(25)23-10-8-21-9-11-23/h1-7,12,21H,8-11,13H2,(H,22,24).
What are the key properties of 3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide?
3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide has a molecular weight of 341.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide is sourced from PubChem (CID 39162973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).