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

C19H21ClFN3O — CID 6470264

IUPACN-[(4-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClFN3O/c20-16-3-1-15(2-4-16)13-22-19(25)14-23-9-11-24(12-10-23)18-7-5-17(21)6-8-18/h1-8H,9-14H2,(H,22,25)
InChIKeyYPZFRVSXRRWJSH-UHFFFAOYSA-N
MW361.85 g/mol
LogP2.92
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 6470264) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID6470264
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClFN3O/c20-16-3-1-15(2-4-16)13-22-19(25)14-23-9-11-24(12-10-23)18-7-5-17(21)6-8-18/h1-8H,9-14H2,(H,22,25)
InChIKeyYPZFRVSXRRWJSH-UHFFFAOYSA-N
XLogP2.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (CID 6470264) is N-[(4-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccc(F)cc2)CC1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is YPZFRVSXRRWJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c20-16-3-1-15(2-4-16)13-22-19(25)14-23-9-11-24(12-10-23)18-7-5-17(21)6-8-18/h1-8H,9-14H2,(H,22,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 361.85 g/mol, XLogP of 2.92, 5 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-(4-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 6470264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).