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

C20H21Cl2N3O2 — CID 19099535

IUPAC2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H21Cl2N3O2/c21-14-19(26)23-17-5-1-15(2-6-17)13-20(27)25-11-9-24(10-12-25)18-7-3-16(22)4-8-18/h1-8H,9-14H2,(H,23,26)
InChIKeyKALYWLOQZRPHFQ-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.41
Rot. Bonds5

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

2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide (PubChem CID 19099535) has the molecular formula C20H21Cl2N3O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is 2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
PubChem CID19099535
Molecular FormulaC20H21Cl2N3O2
Molecular Weight406.31 g/mol
Exact Mass405.10
IUPAC Name2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H21Cl2N3O2/c21-14-19(26)23-17-5-1-15(2-6-17)13-20(27)25-11-9-24(10-12-25)18-7-3-16(22)4-8-18/h1-8H,9-14H2,(H,23,26)
InChIKeyKALYWLOQZRPHFQ-UHFFFAOYSA-N
XLogP3.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide
CID 15341403
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 94826197
2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide
CID 17118263
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 5041262
2-(4-chlorophenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 2870850
2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide
CID 113000176
N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 17459284
N-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 113078225
N-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide
CID 38274940
N-[4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 9255560
N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide
CID 4558492

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide (CID 19099535) is 2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide is O=C(CCl)Nc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide?
The InChIKey is KALYWLOQZRPHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2/c21-14-19(26)23-17-5-1-15(2-6-17)13-20(27)25-11-9-24(10-12-25)18-7-3-16(22)4-8-18/h1-8H,9-14H2,(H,23,26).
What are the key properties of 2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide?
2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide has a molecular weight of 406.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide is sourced from PubChem (CID 19099535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).