(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

C17H15Cl2FN2O — CID 8967500

IUPAC(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1F)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H15Cl2FN2O/c18-12-2-1-3-14(10-12)21-6-8-22(9-7-21)17(23)15-5-4-13(19)11-16(15)20/h1-5,10-11H,6-9H2
InChIKeyGDUYWDNKSKHWRC-UHFFFAOYSA-N
MW353.22 g/mol
LogP4.09
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 8967500) has the molecular formula C17H15Cl2FN2O and a molecular weight of 353.22 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID8967500
Molecular FormulaC17H15Cl2FN2O
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1F)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H15Cl2FN2O/c18-12-2-1-3-14(10-12)21-6-8-22(9-7-21)17(23)15-5-4-13(19)11-16(15)20/h1-5,10-11H,6-9H2
InChIKeyGDUYWDNKSKHWRC-UHFFFAOYSA-N
XLogP4.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-5-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 71822560
[4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone
CID 39717758
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
(2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 106685249
[2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 110452050
(4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
CID 87006636
[4-(3-chlorophenyl)piperazin-1-yl]-(2-nitrophenyl)methanone
CID 739922
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110692830
(2,4-difluorophenyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone
CID 47041970
(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069932
[1-(2-chlorobenzoyl)piperidin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 17223304
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 16596749

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 8967500) is (4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1F)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is GDUYWDNKSKHWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O/c18-12-2-1-3-14(10-12)21-6-8-22(9-7-21)17(23)15-5-4-13(19)11-16(15)20/h1-5,10-11H,6-9H2.
What are the key properties of (4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 353.22 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 8967500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).