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

C20H23ClFN3O — CID 22195761

IUPACN-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2cccc(F)c2)CC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClFN3O/c21-18-6-4-16(5-7-18)13-23-20(26)15-25-10-8-24(9-11-25)14-17-2-1-3-19(22)12-17/h1-7,12H,8-11,13-15H2,(H,23,26)
InChIKeyZEIBRVDUIBXKJQ-UHFFFAOYSA-N
MW375.88 g/mol
LogP2.91
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 22195761) has the molecular formula C20H23ClFN3O and a molecular weight of 375.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID22195761
Molecular FormulaC20H23ClFN3O
Molecular Weight375.88 g/mol
Exact Mass375.15
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2cccc(F)c2)CC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClFN3O/c21-18-6-4-16(5-7-18)13-23-20(26)15-25-10-8-24(9-11-25)14-17-2-1-3-19(22)12-17/h1-7,12H,8-11,13-15H2,(H,23,26)
InChIKeyZEIBRVDUIBXKJQ-UHFFFAOYSA-N
XLogP2.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9433477
N-(2,5-dichlorophenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195718
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46162316
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 30725889
N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33069859
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 8693460
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34132427

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide (CID 22195761) is N-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2cccc(F)c2)CC1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is ZEIBRVDUIBXKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O/c21-18-6-4-16(5-7-18)13-23-20(26)15-25-10-8-24(9-11-25)14-17-2-1-3-19(22)12-17/h1-7,12H,8-11,13-15H2,(H,23,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 375.88 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 22195761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).