[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone

C19H17Cl2FN2O3 — CID 108567728

IUPAC[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17Cl2FN2O3/c1-27-17-15(21)7-6-14(20)16(17)19(26)24-10-8-23(9-11-24)18(25)12-2-4-13(22)5-3-12/h2-7H,8-11H2,1H3
InChIKeyBRZXCJXWGQBDLC-UHFFFAOYSA-N
MW411.26 g/mol
LogP3.74
Rot. Bonds3

About [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone

[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 108567728) has the molecular formula C19H17Cl2FN2O3 and a molecular weight of 411.26 g/mol. Its IUPAC name is [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID108567728
Molecular FormulaC19H17Cl2FN2O3
Molecular Weight411.26 g/mol
Exact Mass410.06
IUPAC Name[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17Cl2FN2O3/c1-27-17-15(21)7-6-14(20)16(17)19(26)24-10-8-23(9-11-24)18(25)12-2-4-13(22)5-3-12/h2-7H,8-11H2,1H3
InChIKeyBRZXCJXWGQBDLC-UHFFFAOYSA-N
XLogP3.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 108559370
(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110755240
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 110328475
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46413225
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36510130
(3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110396652
1-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108569916
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210
[4-(2-chloro-6-fluorobenzoyl)-1,4-diazepan-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 108544165
(4-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131721

Frequently Asked Questions

What is the IUPAC name of [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 108567728) is [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone is COc1c(Cl)ccc(Cl)c1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is BRZXCJXWGQBDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O3/c1-27-17-15(21)7-6-14(20)16(17)19(26)24-10-8-23(9-11-24)18(25)12-2-4-13(22)5-3-12/h2-7H,8-11H2,1H3.
What are the key properties of [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 411.26 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 108567728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).