N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide

C18H18Cl2FN3O — CID 8530050

IUPACN-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C18H18Cl2FN3O/c19-13-2-1-3-15(10-13)24-8-6-23(7-9-24)12-18(25)22-17-11-14(20)4-5-16(17)21/h1-5,10-11H,6-9,12H2,(H,22,25)
InChIKeyIRFMMXCZOANBSF-UHFFFAOYSA-N
MW382.27 g/mol
LogP3.89
Rot. Bonds4

About N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide

N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide (PubChem CID 8530050) has the molecular formula C18H18Cl2FN3O and a molecular weight of 382.27 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
PubChem CID8530050
Molecular FormulaC18H18Cl2FN3O
Molecular Weight382.27 g/mol
Exact Mass381.08
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C18H18Cl2FN3O/c19-13-2-1-3-15(10-13)24-8-6-23(7-9-24)12-18(25)22-17-11-14(20)4-5-16(17)21/h1-5,10-11H,6-9,12H2,(H,22,25)
InChIKeyIRFMMXCZOANBSF-UHFFFAOYSA-N
XLogP3.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 3472016
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 4238150
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 8530111
N-(5-chloro-2-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731945
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 8896475
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 5019099
N-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 7949022
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
methyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8530313
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2654914

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide (CID 8530050) is N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
The InChIKey is IRFMMXCZOANBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FN3O/c19-13-2-1-3-15(10-13)24-8-6-23(7-9-24)12-18(25)22-17-11-14(20)4-5-16(17)21/h1-5,10-11H,6-9,12H2,(H,22,25).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide has a molecular weight of 382.27 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8530050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).