[4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone

C17H15ClFIN2O — CID 39717758

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone
SMILESO=C(c1ccc(F)cc1I)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H15ClFIN2O/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
InChIKeyMBYDONMGIPMTQI-UHFFFAOYSA-N
MW444.68 g/mol
LogP4.05
Rot. Bonds2

About [4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone (PubChem CID 39717758) has the molecular formula C17H15ClFIN2O and a molecular weight of 444.68 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone
PubChem CID39717758
Molecular FormulaC17H15ClFIN2O
Molecular Weight444.68 g/mol
Exact Mass443.99
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone
SMILESO=C(c1ccc(F)cc1I)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H15ClFIN2O/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
InChIKeyMBYDONMGIPMTQI-UHFFFAOYSA-N
XLogP4.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.68
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-5-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 71822560
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500
(4-fluoro-2-iodophenyl)-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 87030189
(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
(2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 106685249
[5-(4-chlorophenyl)-1-(2,4-difluorophenyl)-2-methylpyrrol-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 42785681
[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 33188308
[2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 110452050
aziridin-1-yl-(5-fluoro-2-iodophenyl)methanone
CID 130874927
[4-(3-chlorophenyl)piperazin-1-yl]-(2-nitrophenyl)methanone
CID 739922

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone (CID 39717758) is [4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone is O=C(c1ccc(F)cc1I)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone?
The InChIKey is MBYDONMGIPMTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFIN2O/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-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone has a molecular weight of 444.68 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone is sourced from PubChem (CID 39717758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).