N-(2-chlorophenyl)-2-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]acetamide

C20H21ClFN3O2 — CID 3237389

IUPACN-(2-chlorophenyl)-2-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC(=O)c2ccc(F)cc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C20H21ClFN3O2/c21-17-3-1-2-4-18(17)23-20(27)14-25-11-9-24(10-12-25)13-19(26)15-5-7-16(22)8-6-15/h1-8H,9-14H2,(H,23,27)
InChIKeyLUULAXXXGLZXLK-UHFFFAOYSA-N
MW389.86 g/mol
LogP2.92
Rot. Bonds6

About N-(2-chlorophenyl)-2-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 3237389) has the molecular formula C20H21ClFN3O2 and a molecular weight of 389.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID3237389
Molecular FormulaC20H21ClFN3O2
Molecular Weight389.86 g/mol
Exact Mass389.13
IUPAC NameN-(2-chlorophenyl)-2-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC(=O)c2ccc(F)cc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C20H21ClFN3O2/c21-17-3-1-2-4-18(17)23-20(27)14-25-11-9-24(10-12-25)13-19(26)15-5-7-16(22)8-6-15/h1-8H,9-14H2,(H,23,27)
InChIKeyLUULAXXXGLZXLK-UHFFFAOYSA-N
XLogP2.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 4150876
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-trans-but-2-enyl)-4-(6-oxo-1,6-dihydropyridin-2-yl)benzamide
CID 44427820
2-(4-(4-Chlorophenyl)-1-piperazinyl)-1-phenylethanone
CID 1477078
4-Morpholineacetamide, N-(2-benzoyl-4-chlorophenyl)-
CID 173684
Methanone, (4-chlorophenyl)[4-(4-fluorophenyl)-1-piperazinyl]-
CID 720118
1-{4-[4-(3-Chlorobenzoyl)piperazin-1-Yl]phenyl}ethanone
CID 8866783
1-benzyl-3-[(4-chlorophenyl)amino]-4-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 24768117
1-(3-Chlorophenyl)-4-(4-fluorobenzoyl)piperazine
CID 681767
Piperazine derivative 6
CID 25241867
N-{(Z)-4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-benzamide
CID 9887463
N-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-benzamide
CID 10001256
N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-4-phenylbenzamide
CID 11213037

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]acetamide (CID 3237389) is N-(2-chlorophenyl)-2-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]acetamide is O=C(CN1CCN(CC(=O)c2ccc(F)cc2)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is LUULAXXXGLZXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O2/c21-17-3-1-2-4-18(17)23-20(27)14-25-11-9-24(10-12-25)13-19(26)15-5-7-16(22)8-6-15/h1-8H,9-14H2,(H,23,27).
What are the key properties of N-(2-chlorophenyl)-2-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 389.86 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 3237389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).