4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide

C20H21F2N3O2 — CID 120737596

IUPAC4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
SMILESO=C(NCCC(=O)N1CCNCC1c1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C20H21F2N3O2/c21-16-6-4-14(5-7-16)20(27)24-9-8-19(26)25-11-10-23-13-18(25)15-2-1-3-17(22)12-15/h1-7,12,18,23H,8-11,13H2,(H,24,27)
InChIKeySKPOBBZWHJBTDO-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.26
Rot. Bonds5

About 4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide

4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide (PubChem CID 120737596) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is 4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
PubChem CID120737596
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC Name4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
SMILESO=C(NCCC(=O)N1CCNCC1c1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C20H21F2N3O2/c21-16-6-4-14(5-7-16)20(27)24-9-8-19(26)25-11-10-23-13-18(25)15-2-1-3-17(22)12-15/h1-7,12,18,23H,8-11,13H2,(H,24,27)
InChIKeySKPOBBZWHJBTDO-UHFFFAOYSA-N
XLogP2.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide
CID 120737378
2-(4-fluorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736085
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 120735890
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
CID 120736036
1-[2-(3-fluorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 120735703
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290
1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
CID 120737260
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide
CID 120736914
5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide
CID 120737953
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 120736864

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide (CID 120737596) is 4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide is O=C(NCCC(=O)N1CCNCC1c1cccc(F)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide?
The InChIKey is SKPOBBZWHJBTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c21-16-6-4-14(5-7-16)20(27)24-9-8-19(26)25-11-10-23-13-18(25)15-2-1-3-17(22)12-15/h1-7,12,18,23H,8-11,13H2,(H,24,27).
What are the key properties of 4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide?
4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 373.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 120737596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).