2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide

C25H24FN3O3 — CID 30704409

IUPAC2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2F)CC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C25H24FN3O3/c26-21-11-5-4-10-20(21)25(31)29-16-14-28(15-17-29)18-24(30)27-22-12-6-7-13-23(22)32-19-8-2-1-3-9-19/h1-13H,14-18H2,(H,27,30)
InChIKeyVWXYHLCQUVEZRE-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.01
Rot. Bonds6

About 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide

2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide (PubChem CID 30704409) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
PubChem CID30704409
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC Name2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2F)CC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C25H24FN3O3/c26-21-11-5-4-10-20(21)25(31)29-16-14-28(15-17-29)18-24(30)27-22-12-6-7-13-23(22)32-19-8-2-1-3-9-19/h1-13H,14-18H2,(H,27,30)
InChIKeyVWXYHLCQUVEZRE-UHFFFAOYSA-N
XLogP4.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 15999180
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 24674493
N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 27849921
ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate
CID 8932102
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 24674491
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 30776742
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 52542227
2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 3238032
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 51221138
N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 9451718
N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide
CID 24659733
2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 25492304

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide (CID 30704409) is 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide is O=C(CN1CCN(C(=O)c2ccccc2F)CC1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide?
The InChIKey is VWXYHLCQUVEZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c26-21-11-5-4-10-20(21)25(31)29-16-14-28(15-17-29)18-24(30)27-22-12-6-7-13-23(22)32-19-8-2-1-3-9-19/h1-13H,14-18H2,(H,27,30).
What are the key properties of 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide?
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide has a molecular weight of 433.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 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-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 30704409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).