(2,5-dichlorophenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone

C19H17Cl2FN6O — CID 30937577

IUPAC(2,5-dichlorophenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1
InChIInChI=1S/C19H17Cl2FN6O/c20-13-4-5-17(21)16(10-13)19(29)27-8-6-26(7-9-27)12-18-23-24-25-28(18)15-3-1-2-14(22)11-15/h1-5,10-11H,6-9,12H2
InChIKeyKJFYROOAVIYJQM-UHFFFAOYSA-N
MW435.29 g/mol
LogP3.07
Rot. Bonds4

About (2,5-dichlorophenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone

(2,5-dichlorophenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 30937577) has the molecular formula C19H17Cl2FN6O and a molecular weight of 435.29 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID30937577
Molecular FormulaC19H17Cl2FN6O
Molecular Weight435.29 g/mol
Exact Mass434.08
IUPAC Name(2,5-dichlorophenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1
InChIInChI=1S/C19H17Cl2FN6O/c20-13-4-5-17(21)16(10-13)19(29)27-8-6-26(7-9-27)12-18-23-24-25-28(18)15-3-1-2-14(22)11-15/h1-5,10-11H,6-9,12H2
InChIKeyKJFYROOAVIYJQM-UHFFFAOYSA-N
XLogP3.07
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-bromophenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937567
N-(3,4-dichlorophenyl)-4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide
CID 29340359
2-(4-chlorophenoxy)-1-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30858021
(3-chlorophenyl)-[4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30938107
(2-chloro-5-nitrophenyl)-[4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30938148
[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 30936606
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937667
2-ethyl-1-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]butan-1-one
CID 30937464
[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 30937585
ethyl 2-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-oxoacetate
CID 30937494
(2-chloro-6-fluorophenyl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937119
2-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]chromen-4-one
CID 30858076

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (2,5-dichlorophenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone (CID 30937577) is (2,5-dichlorophenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dichlorophenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone is O=C(c1cc(Cl)ccc1Cl)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1.
What is the InChIKey of (2,5-dichlorophenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is KJFYROOAVIYJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN6O/c20-13-4-5-17(21)16(10-13)19(29)27-8-6-26(7-9-27)12-18-23-24-25-28(18)15-3-1-2-14(22)11-15/h1-5,10-11H,6-9,12H2.
What are the key properties of (2,5-dichlorophenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
(2,5-dichlorophenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 435.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 30937577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).