N-[(4-chlorophenyl)methyl]-2-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]acetamide

C17H25ClFN3O — CID 167978850

IUPACN-[(4-chlorophenyl)methyl]-2-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]acetamide
SMILESCC(C)(CF)N1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClFN3O/c1-17(2,13-19)22-9-7-21(8-10-22)12-16(23)20-11-14-3-5-15(18)6-4-14/h3-6H,7-13H2,1-2H3,(H,20,23)
InChIKeyBMHIEKYQNAJMIF-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.32
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]acetamide

N-[(4-chlorophenyl)methyl]-2-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]acetamide (PubChem CID 167978850) has the molecular formula C17H25ClFN3O and a molecular weight of 341.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]acetamide
PubChem CID167978850
Molecular FormulaC17H25ClFN3O
Molecular Weight341.86 g/mol
Exact Mass341.17
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]acetamide
SMILESCC(C)(CF)N1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClFN3O/c1-17(2,13-19)22-9-7-21(8-10-22)12-16(23)20-11-14-3-5-15(18)6-4-14/h3-6H,7-13H2,1-2H3,(H,20,23)
InChIKeyBMHIEKYQNAJMIF-UHFFFAOYSA-N
XLogP2.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 9260123
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46162316
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9260239
N-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195761
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530947
2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 22193970
N-[(4-chlorophenyl)methyl]-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9433477
N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728803
N-benzyl-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 9260179
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 8693460

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]acetamide (CID 167978850) is N-[(4-chlorophenyl)methyl]-2-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]acetamide is CC(C)(CF)N1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]acetamide?
The InChIKey is BMHIEKYQNAJMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN3O/c1-17(2,13-19)22-9-7-21(8-10-22)12-16(23)20-11-14-3-5-15(18)6-4-14/h3-6H,7-13H2,1-2H3,(H,20,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]acetamide has a molecular weight of 341.86 g/mol, XLogP of 2.32, 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-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 167978850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).