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

C19H18ClF2N3O2 — CID 27849985

IUPAC2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(F)cc2Cl)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C19H18ClF2N3O2/c20-17-11-14(22)3-6-16(17)19(27)25-9-7-24(8-10-25)12-18(26)23-15-4-1-13(21)2-5-15/h1-6,11H,7-10,12H2,(H,23,26)
InChIKeyJSTAWCBOAUPMJL-UHFFFAOYSA-N
MW393.82 g/mol
LogP3.01
Rot. Bonds4

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

2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 27849985) has the molecular formula C19H18ClF2N3O2 and a molecular weight of 393.82 g/mol. Its IUPAC name is 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID27849985
Molecular FormulaC19H18ClF2N3O2
Molecular Weight393.82 g/mol
Exact Mass393.11
IUPAC Name2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(F)cc2Cl)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C19H18ClF2N3O2/c20-17-11-14(22)3-6-16(17)19(27)25-9-7-24(8-10-25)12-18(26)23-15-4-1-13(21)2-5-15/h1-6,11H,7-10,12H2,(H,23,26)
InChIKeyJSTAWCBOAUPMJL-UHFFFAOYSA-N
XLogP3.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.82
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 55364252
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 27851954
N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870
N-(4-fluorophenyl)-2-[4-(2-hydroxy-4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 27849701
[4-(2-chloroethyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 63395300
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 55682272
2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021871
2-[4-(3-bromo-2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 60550834
2-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9217847
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 22194491
N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 27849921
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 34432845

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 27849985) is 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is O=C(CN1CCN(C(=O)c2ccc(F)cc2Cl)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is JSTAWCBOAUPMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N3O2/c20-17-11-14(22)3-6-16(17)19(27)25-9-7-24(8-10-25)12-18(26)23-15-4-1-13(21)2-5-15/h1-6,11H,7-10,12H2,(H,23,26).
What are the key properties of 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 393.82 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 27849985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).