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

C20H21FN4O3 — CID 36877900

IUPAC2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN4O3/c21-15-7-5-14(6-8-15)20(28)25-11-9-24(10-12-25)13-18(26)23-17-4-2-1-3-16(17)19(22)27/h1-8H,9-13H2,(H2,22,27)(H,23,26)
InChIKeyXLSHMORLJKGANO-UHFFFAOYSA-N
MW384.41 g/mol
LogP1.32
Rot. Bonds5

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

2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 36877900) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
PubChem CID36877900
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN4O3/c21-15-7-5-14(6-8-15)20(28)25-11-9-24(10-12-25)13-18(26)23-17-4-2-1-3-16(17)19(22)27/h1-8H,9-13H2,(H2,22,27)(H,23,26)
InChIKeyXLSHMORLJKGANO-UHFFFAOYSA-N
XLogP1.32
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 36876914
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 36875697
2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide
CID 46551898
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 15999180
2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 18277431
N-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35207173
2-[[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55493980
2-[[2-(4-oxopiperidin-1-yl)acetyl]amino]benzamide
CID 82342701
N-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 55682168
N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870
N-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55840022
2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide
CID 31375804

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide (CID 36877900) is 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is XLSHMORLJKGANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c21-15-7-5-14(6-8-15)20(28)25-11-9-24(10-12-25)13-18(26)23-17-4-2-1-3-16(17)19(22)27/h1-8H,9-13H2,(H2,22,27)(H,23,26).
What are the key properties of 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide?
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 384.41 g/mol, XLogP of 1.32, 5 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]benzamide is sourced from PubChem (CID 36877900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).