(4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone

C16H13Cl3FN3O — CID 87006636

IUPAC(4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1F)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H13Cl3FN3O/c17-10-1-2-12(14(20)8-10)16(24)23-5-3-22(4-6-23)15-13(19)7-11(18)9-21-15/h1-2,7-9H,3-6H2
InChIKeyBEOYFPJREWIRRD-UHFFFAOYSA-N
MW388.66 g/mol
LogP4.14
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone

(4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 87006636) has the molecular formula C16H13Cl3FN3O and a molecular weight of 388.66 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID87006636
Molecular FormulaC16H13Cl3FN3O
Molecular Weight388.66 g/mol
Exact Mass387.01
IUPAC Name(4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1F)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H13Cl3FN3O/c17-10-1-2-12(14(20)8-10)16(24)23-5-3-22(4-6-23)15-13(19)7-11(18)9-21-15/h1-2,7-9H,3-6H2
InChIKeyBEOYFPJREWIRRD-UHFFFAOYSA-N
XLogP4.14
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.66
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 75470049
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone
CID 112845805
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500
N-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55933429
propan-2-yl 2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133469899
1-[4-(3,5-dichloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 166604874
3-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 133279735
4-(2,4-dichlorophenoxy)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]butan-1-one
CID 55808389
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
CID 55808329
4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674391
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone (CID 87006636) is (4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1F)N1CCN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of (4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is BEOYFPJREWIRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3FN3O/c17-10-1-2-12(14(20)8-10)16(24)23-5-3-22(4-6-23)15-13(19)7-11(18)9-21-15/h1-2,7-9H,3-6H2.
What are the key properties of (4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone?
(4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 388.66 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 87006636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).