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

C20H21ClFN3O2 — CID 6460181

IUPAC2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H21ClFN3O2/c21-16-7-5-15(6-8-16)13-19(26)23-14-20(27)25-11-9-24(10-12-25)18-4-2-1-3-17(18)22/h1-8H,9-14H2,(H,23,26)
InChIKeyHANMWNYBXNYIRX-UHFFFAOYSA-N
MW389.86 g/mol
LogP2.49
Rot. Bonds5

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

2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 6460181) has the molecular formula C20H21ClFN3O2 and a molecular weight of 389.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID6460181
Molecular FormulaC20H21ClFN3O2
Molecular Weight389.86 g/mol
Exact Mass389.13
IUPAC Name2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H21ClFN3O2/c21-16-7-5-15(6-8-16)13-19(26)23-14-20(27)25-11-9-24(10-12-25)18-4-2-1-3-17(18)22/h1-8H,9-14H2,(H,23,26)
InChIKeyHANMWNYBXNYIRX-UHFFFAOYSA-N
XLogP2.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 41337381
4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 26590726
2-(3,5-dichloroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004494
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112994503
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea
CID 42156451
benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 16748952
2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004455
2-(4-chloro-2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 100751498
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2,3,4-trifluoroanilino)ethanone
CID 109004504
2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004436
N-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide
CID 7328605
2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 3595637

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 6460181) is 2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is HANMWNYBXNYIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O2/c21-16-7-5-15(6-8-16)13-19(26)23-14-20(27)25-11-9-24(10-12-25)18-4-2-1-3-17(18)22/h1-8H,9-14H2,(H,23,26).
What are the key properties of 2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 389.86 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 6460181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).