2-(2-chloro-6-fluorophenyl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone

C20H20ClFN2O3 — CID 38046641

IUPAC2-(2-chloro-6-fluorophenyl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)c1
InChIInChI=1S/C20H20ClFN2O3/c1-27-15-5-2-4-14(12-15)20(26)24-10-8-23(9-11-24)19(25)13-16-17(21)6-3-7-18(16)22/h2-7,12H,8-11,13H2,1H3
InChIKeyJAXYHXFUKMTZNE-UHFFFAOYSA-N
MW390.84 g/mol
LogP3.01
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone

2-(2-chloro-6-fluorophenyl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone (PubChem CID 38046641) has the molecular formula C20H20ClFN2O3 and a molecular weight of 390.84 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
PubChem CID38046641
Molecular FormulaC20H20ClFN2O3
Molecular Weight390.84 g/mol
Exact Mass390.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)c1
InChIInChI=1S/C20H20ClFN2O3/c1-27-15-5-2-4-14(12-15)20(26)24-10-8-23(9-11-24)19(25)13-16-17(21)6-3-7-18(16)22/h2-7,12H,8-11,13H2,1H3
InChIKeyJAXYHXFUKMTZNE-UHFFFAOYSA-N
XLogP3.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.84
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 18208594
2-(2-chloro-6-fluorophenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 2565147
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701
2-(4-chlorophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 1074737
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone
CID 108543910
3-(4-chlorophenyl)-1-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544951
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 19329449
2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110816560
2-(3-methoxyphenyl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]ethanone
CID 48868393
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38388248
3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603347

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone (CID 38046641) is 2-(2-chloro-6-fluorophenyl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone is COc1cccc(C(=O)N2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone?
The InChIKey is JAXYHXFUKMTZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O3/c1-27-15-5-2-4-14(12-15)20(26)24-10-8-23(9-11-24)19(25)13-16-17(21)6-3-7-18(16)22/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone?
2-(2-chloro-6-fluorophenyl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone has a molecular weight of 390.84 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 38046641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).