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

C20H23ClFN3O2 — CID 22194502

IUPAC2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C20H23ClFN3O2/c1-27-19-5-3-2-4-18(19)23-20(26)14-25-10-8-24(9-11-25)13-15-6-7-16(22)12-17(15)21/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)
InChIKeyGHKDRCCLBXANKC-UHFFFAOYSA-N
MW391.87 g/mol
LogP3.24
Rot. Bonds6

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

2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 22194502) has the molecular formula C20H23ClFN3O2 and a molecular weight of 391.87 g/mol. Its IUPAC name is 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID22194502
Molecular FormulaC20H23ClFN3O2
Molecular Weight391.87 g/mol
Exact Mass391.15
IUPAC Name2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C20H23ClFN3O2/c1-27-19-5-3-2-4-18(19)23-20(26)14-25-10-8-24(9-11-25)13-15-6-7-16(22)12-17(15)21/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)
InChIKeyGHKDRCCLBXANKC-UHFFFAOYSA-N
XLogP3.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.87
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 37385958
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
CID 37386366
N-(5-chloro-2-fluorophenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436466
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 22194497
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 22194491
2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 171702460
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 33070046
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
N-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 17149224
N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 51199670
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195930
2-[4-[(5-acetyl-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434319

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 22194502) is 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN1CCN(Cc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is GHKDRCCLBXANKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O2/c1-27-19-5-3-2-4-18(19)23-20(26)14-25-10-8-24(9-11-25)13-15-6-7-16(22)12-17(15)21/h2-7,12H,8-11,13-14H2,1H3,(H,23,26).
What are the key properties of 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 391.87 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 22194502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).