(2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone

C19H15Cl2FN6O2 — CID 42534190

IUPAC(2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cc(F)ccc2-n2cnnn2)CC1
InChIInChI=1S/C19H15Cl2FN6O2/c20-12-1-3-14(16(21)9-12)18(29)26-5-7-27(8-6-26)19(30)15-10-13(22)2-4-17(15)28-11-23-24-25-28/h1-4,9-11H,5-8H2
InChIKeyNQENOVCXWYZXNR-UHFFFAOYSA-N
MW449.27 g/mol
LogP2.71
Rot. Bonds3

About (2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone

(2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone (PubChem CID 42534190) has the molecular formula C19H15Cl2FN6O2 and a molecular weight of 449.27 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone
PubChem CID42534190
Molecular FormulaC19H15Cl2FN6O2
Molecular Weight449.27 g/mol
Exact Mass448.06
IUPAC Name(2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cc(F)ccc2-n2cnnn2)CC1
InChIInChI=1S/C19H15Cl2FN6O2/c20-12-1-3-14(16(21)9-12)18(29)26-5-7-27(8-6-26)19(30)15-10-13(22)2-4-17(15)28-11-23-24-25-28/h1-4,9-11H,5-8H2
InChIKeyNQENOVCXWYZXNR-UHFFFAOYSA-N
XLogP2.71
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone (CID 42534190) is (2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cc(F)ccc2-n2cnnn2)CC1.
What is the InChIKey of (2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone?
The InChIKey is NQENOVCXWYZXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2FN6O2/c20-12-1-3-14(16(21)9-12)18(29)26-5-7-27(8-6-26)19(30)15-10-13(22)2-4-17(15)28-11-23-24-25-28/h1-4,9-11H,5-8H2.
What are the key properties of (2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone?
(2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone has a molecular weight of 449.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone is sourced from PubChem (CID 42534190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).