2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide

C26H24F2N4O3 — CID 36876914

IUPAC2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide
SMILESO=C(CN1CCN(C(=O)c2ccc(F)cc2)CC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C26H24F2N4O3/c27-19-7-5-18(6-8-19)26(35)32-15-13-31(14-16-32)17-24(33)30-23-4-2-1-3-22(23)25(34)29-21-11-9-20(28)10-12-21/h1-12H,13-17H2,(H,29,34)(H,30,33)
InChIKeyLXFKPZJZKMSSSP-UHFFFAOYSA-N
MW478.50 g/mol
LogP3.61
Rot. Bonds6

About 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide

2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide (PubChem CID 36876914) has the molecular formula C26H24F2N4O3 and a molecular weight of 478.50 g/mol. Its IUPAC name is 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide
PubChem CID36876914
Molecular FormulaC26H24F2N4O3
Molecular Weight478.50 g/mol
Exact Mass478.18
IUPAC Name2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide
SMILESO=C(CN1CCN(C(=O)c2ccc(F)cc2)CC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C26H24F2N4O3/c27-19-7-5-18(6-8-19)26(35)32-15-13-31(14-16-32)17-24(33)30-23-4-2-1-3-22(23)25(34)29-21-11-9-20(28)10-12-21/h1-12H,13-17H2,(H,29,34)(H,30,33)
InChIKeyLXFKPZJZKMSSSP-UHFFFAOYSA-N
XLogP3.61
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 36877900
2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide
CID 46551898
N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870
N-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34735668
N-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35207173
ethyl 1-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 26629566
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 15999180
N-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55840022
N-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 24683894
N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 27849921
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 36875625
N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide
CID 27849975

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide (CID 36876914) is 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide is O=C(CN1CCN(C(=O)c2ccc(F)cc2)CC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide?
The InChIKey is LXFKPZJZKMSSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O3/c27-19-7-5-18(6-8-19)26(35)32-15-13-31(14-16-32)17-24(33)30-23-4-2-1-3-22(23)25(34)29-21-11-9-20(28)10-12-21/h1-12H,13-17H2,(H,29,34)(H,30,33).
What are the key properties of 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide?
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide has a molecular weight of 478.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 36876914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).