2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-phenylacetamide

C24H24FN3O3 — CID 86922308

IUPAC2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-phenylacetamide
SMILESO=C(c1ccccc1F)N1CCN(CC(=O)N(Cc2ccco2)c2ccccc2)CC1
InChIInChI=1S/C24H24FN3O3/c25-22-11-5-4-10-21(22)24(30)27-14-12-26(13-15-27)18-23(29)28(17-20-9-6-16-31-20)19-7-2-1-3-8-19/h1-11,16H,12-15,17-18H2
InChIKeyPABNIHDLCWFGBK-UHFFFAOYSA-N
MW421.47 g/mol
LogP3.41
Rot. Bonds6

About 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-phenylacetamide

2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-phenylacetamide (PubChem CID 86922308) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-phenylacetamide
PubChem CID86922308
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-phenylacetamide
SMILESO=C(c1ccccc1F)N1CCN(CC(=O)N(Cc2ccco2)c2ccccc2)CC1
InChIInChI=1S/C24H24FN3O3/c25-22-11-5-4-10-21(22)24(30)27-14-12-26(13-15-27)18-23(29)28(17-20-9-6-16-31-20)19-7-2-1-3-8-19/h1-11,16H,12-15,17-18H2
InChIKeyPABNIHDLCWFGBK-UHFFFAOYSA-N
XLogP3.41
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide
CID 111113787
N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide
CID 78904271
2-[cyclopropyl(ethyl)amino]-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 78877019
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 55445056
N-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 55682732
3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 91903819
(2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 30860537
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 15999180
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 30992627
(4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone
CID 19572522

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-phenylacetamide?
The IUPAC name of 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-phenylacetamide (CID 86922308) is 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-phenylacetamide.
What is the SMILES notation for 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-phenylacetamide?
The canonical SMILES for 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-phenylacetamide is O=C(c1ccccc1F)N1CCN(CC(=O)N(Cc2ccco2)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-phenylacetamide?
The InChIKey is PABNIHDLCWFGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c25-22-11-5-4-10-21(22)24(30)27-14-12-26(13-15-27)18-23(29)28(17-20-9-6-16-31-20)19-7-2-1-3-8-19/h1-11,16H,12-15,17-18H2.
What are the key properties of 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-phenylacetamide?
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-phenylacetamide has a molecular weight of 421.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-phenylacetamide is sourced from PubChem (CID 86922308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).