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

C18H19ClFN3O — CID 5019099

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1F
InChIInChI=1S/C18H19ClFN3O/c19-14-5-7-15(8-6-14)23-11-9-22(10-12-23)13-18(24)21-17-4-2-1-3-16(17)20/h1-8H,9-13H2,(H,21,24)
InChIKeyIUCWFWYIAFWYGG-UHFFFAOYSA-N
MW347.82 g/mol
LogP3.24
Rot. Bonds4

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

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 5019099) has the molecular formula C18H19ClFN3O and a molecular weight of 347.82 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID5019099
Molecular FormulaC18H19ClFN3O
Molecular Weight347.82 g/mol
Exact Mass347.12
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1F
InChIInChI=1S/C18H19ClFN3O/c19-14-5-7-15(8-6-14)23-11-9-22(10-12-23)13-18(24)21-17-4-2-1-3-16(17)20/h1-8H,9-13H2,(H,21,24)
InChIKeyIUCWFWYIAFWYGG-UHFFFAOYSA-N
XLogP3.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 22198476
N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530050
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 8530111
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 3472016
N-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 7949022
N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466887
N-(4-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704214
N-(2,5-dichlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 2120382
N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 671206
2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 133417213
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 15999180
2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 3238032

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide (CID 5019099) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide is O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1F.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is IUCWFWYIAFWYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O/c19-14-5-7-15(8-6-14)23-11-9-22(10-12-23)13-18(24)21-17-4-2-1-3-16(17)20/h1-8H,9-13H2,(H,21,24).
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 347.82 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 5019099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).