2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide

C20H21F2N3O2 — CID 3455522

IUPAC2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(C(=O)c2ccccc2F)CC1)c1ccccc1F
InChIInChI=1S/C20H21F2N3O2/c21-17-7-3-1-5-15(17)19(26)23-9-10-24-11-13-25(14-12-24)20(27)16-6-2-4-8-18(16)22/h1-8H,9-14H2,(H,23,26)
InChIKeyNASINIVHNATHIB-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.15
Rot. Bonds5

About 2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide

2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 3455522) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is 2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
PubChem CID3455522
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC Name2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(C(=O)c2ccccc2F)CC1)c1ccccc1F
InChIInChI=1S/C20H21F2N3O2/c21-17-7-3-1-5-15(17)19(26)23-9-10-24-11-13-25(14-12-24)20(27)16-6-2-4-8-18(16)22/h1-8H,9-14H2,(H,23,26)
InChIKeyNASINIVHNATHIB-UHFFFAOYSA-N
XLogP2.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 4197807
N-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide
CID 75462777
2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide
CID 111488179
N-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide
CID 120848299
(4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 113072774
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248
2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide
CID 133372539
N-[2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]ethyl]-2-fluorobenzamide;dihydrochloride
CID 120596619
2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide
CID 71871594
N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide
CID 110444095
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide
CID 110397771
4-(2-fluorobenzoyl)piperazine-1-carbohydrazide
CID 82304393

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide (CID 3455522) is 2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide is O=C(NCCN1CCN(C(=O)c2ccccc2F)CC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is NASINIVHNATHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c21-17-7-3-1-5-15(17)19(26)23-9-10-24-11-13-25(14-12-24)20(27)16-6-2-4-8-18(16)22/h1-8H,9-14H2,(H,23,26).
What are the key properties of 2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide?
2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 373.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 3455522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).