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

C20H22ClFN4O2 — CID 5061473

IUPAC2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C20H22ClFN4O2/c21-15-1-5-17(6-2-15)23-19(27)13-25-9-11-26(12-10-25)14-20(28)24-18-7-3-16(22)4-8-18/h1-8H,9-14H2,(H,23,27)(H,24,28)
InChIKeyLKSXDBYPXUPONI-UHFFFAOYSA-N
MW404.87 g/mol
LogP2.67
Rot. Bonds6

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

2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 5061473) has the molecular formula C20H22ClFN4O2 and a molecular weight of 404.87 g/mol. Its IUPAC name is 2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID5061473
Molecular FormulaC20H22ClFN4O2
Molecular Weight404.87 g/mol
Exact Mass404.14
IUPAC Name2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C20H22ClFN4O2/c21-15-1-5-17(6-2-15)23-19(27)13-25-9-11-26(12-10-25)14-20(28)24-18-7-3-16(22)4-8-18/h1-8H,9-14H2,(H,23,27)(H,24,28)
InChIKeyLKSXDBYPXUPONI-UHFFFAOYSA-N
XLogP2.67
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.87
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Nbd-556
CID 1570601
N-(4-Chloro-3-Fluorophenyl)-N'-(1,2,2,6,6-Pentamethylpiperidin-4-Yl)ethanediamide
CID 46200212
N-(3-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16188853
4-(4-chlorophenyl)-N-cyclohexylpiperazine-1-carboxamide
CID 4416918
Clodacaine
CID 58616
N(O-Clph)-3-N'-piperidinoacetamide
CID 779151
N-(4-Chloro-phenyl)-2-(cyclohexyl-methyl-amino)-acetamide
CID 788650
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2115027
2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide
CID 4879550
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 6470463
N-(4-fluorophenyl)-2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 9467018
N-(4-Chlorophenyl)-4-methyl-1-piperazinepropanamide
CID 574916

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 5061473) is 2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide is O=C(CN1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is LKSXDBYPXUPONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN4O2/c21-15-1-5-17(6-2-15)23-19(27)13-25-9-11-26(12-10-25)14-20(28)24-18-7-3-16(22)4-8-18/h1-8H,9-14H2,(H,23,27)(H,24,28).
What are the key properties of 2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 404.87 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 5061473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).