N-(3,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

C18H18Cl2FN3O — CID 988158

IUPACN-(3,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2FN3O/c19-16-6-3-14(11-17(16)20)22-18(25)12-23-7-9-24(10-8-23)15-4-1-13(21)2-5-15/h1-6,11H,7-10,12H2,(H,22,25)
InChIKeyHKUOIEZXFHUMIP-UHFFFAOYSA-N
MW382.27 g/mol
LogP3.89
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

N-(3,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 988158) has the molecular formula C18H18Cl2FN3O and a molecular weight of 382.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID988158
Molecular FormulaC18H18Cl2FN3O
Molecular Weight382.27 g/mol
Exact Mass381.08
IUPAC NameN-(3,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2FN3O/c19-16-6-3-14(11-17(16)20)22-18(25)12-23-7-9-24(10-8-23)15-4-1-13(21)2-5-15/h1-6,11H,7-10,12H2,(H,22,25)
InChIKeyHKUOIEZXFHUMIP-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

Acetamide, 2-((3,4-dichlorophenyl)amino)-N-hydroxy-
CID 203276
N-(3-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16188853
6-(4-(3,4-dichlorophenyl)piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 72894274
N-(4-Chloro-phenyl)-2-(cyclohexyl-methyl-amino)-acetamide
CID 788650
N-(2,3-dichlorophenyl)-2-(1-pyrrolidinyl)acetamide
CID 1248605
2-(azocan-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 2573331
2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide
CID 4879550
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 6470463
N-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 687128
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 3240231
3-chloranyl-1-(3,4-dichlorophenyl)-4-[(3R)-3-methylpiperazin-1-yl]pyrrole-2,5-dione
CID 16654653
3-Chloranyl-1-(3,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)pyrrole-2,5-dione
CID 16654656

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (CID 988158) is N-(3,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is HKUOIEZXFHUMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FN3O/c19-16-6-3-14(11-17(16)20)22-18(25)12-23-7-9-24(10-8-23)15-4-1-13(21)2-5-15/h1-6,11H,7-10,12H2,(H,22,25).
What are the key properties of N-(3,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
N-(3,4-dichlorophenyl)-2-[4-(4-fluorophenyl)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-(3,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 988158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).