2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3,4-difluorophenyl)acetamide

C18H18ClF2N3O — CID 3239543

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H18ClF2N3O/c19-13-1-4-15(5-2-13)24-9-7-23(8-10-24)12-18(25)22-14-3-6-16(20)17(21)11-14/h1-6,11H,7-10,12H2,(H,22,25)
InChIKeyQATJTGDMWFQPQZ-UHFFFAOYSA-N
MW365.81 g/mol
LogP3.38
Rot. Bonds4

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3,4-difluorophenyl)acetamide

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3,4-difluorophenyl)acetamide (PubChem CID 3239543) has the molecular formula C18H18ClF2N3O and a molecular weight of 365.81 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3,4-difluorophenyl)acetamide
PubChem CID3239543
Molecular FormulaC18H18ClF2N3O
Molecular Weight365.81 g/mol
Exact Mass365.11
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H18ClF2N3O/c19-13-1-4-15(5-2-13)24-9-7-23(8-10-24)12-18(25)22-14-3-6-16(20)17(21)11-14/h1-6,11H,7-10,12H2,(H,22,25)
InChIKeyQATJTGDMWFQPQZ-UHFFFAOYSA-N
XLogP3.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3,4-difluorophenyl)acetamide (CID 3239543) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3,4-difluorophenyl)acetamide is O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is QATJTGDMWFQPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF2N3O/c19-13-1-4-15(5-2-13)24-9-7-23(8-10-24)12-18(25)22-14-3-6-16(20)17(21)11-14/h1-6,11H,7-10,12H2,(H,22,25).
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3,4-difluorophenyl)acetamide?
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 365.81 g/mol, XLogP of 3.38, 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-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 3239543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).