[5-(4-chloroanilino)triazolidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C19H22ClFN6O — CID 75584224

IUPAC[5-(4-chloroanilino)triazolidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1NNNC1Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H22ClFN6O/c20-13-5-7-14(8-6-13)22-18-17(23-25-24-18)19(28)27-11-9-26(10-12-27)16-4-2-1-3-15(16)21/h1-8,17-18,22-25H,9-12H2
InChIKeyFLLZCHUNQYDUNN-UHFFFAOYSA-N
MW404.88 g/mol
LogP1.55
Rot. Bonds4

About [5-(4-chloroanilino)triazolidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[5-(4-chloroanilino)triazolidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 75584224) has the molecular formula C19H22ClFN6O and a molecular weight of 404.88 g/mol. Its IUPAC name is [5-(4-chloroanilino)triazolidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-chloroanilino)triazolidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID75584224
Molecular FormulaC19H22ClFN6O
Molecular Weight404.88 g/mol
Exact Mass404.15
IUPAC Name[5-(4-chloroanilino)triazolidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1NNNC1Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H22ClFN6O/c20-13-5-7-14(8-6-13)22-18-17(23-25-24-18)19(28)27-11-9-26(10-12-27)16-4-2-1-3-15(16)21/h1-8,17-18,22-25H,9-12H2
InChIKeyFLLZCHUNQYDUNN-UHFFFAOYSA-N
XLogP1.55
TPSA71.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [5-(4-chloroanilino)triazolidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[5-(4-chloroanilino)triazolidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 75584225
5-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]triazolidine-4-carboxamide
CID 75584042
[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 2059106
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
(4-butylpiperazin-1-yl)-[5-(2-fluoroanilino)triazolidin-4-yl]methanone
CID 75584275
N-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26590719
[5-(3-chloroanilino)triazolidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 75584345
(2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 64823960
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-fluorophenyl)piperidin-4-yl]methanone
CID 17152590
N-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide
CID 7328605
(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanethione
CID 975323
2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004455

Frequently Asked Questions

What is the IUPAC name of [5-(4-chloroanilino)triazolidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(4-chloroanilino)triazolidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 75584224) is [5-(4-chloroanilino)triazolidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-chloroanilino)triazolidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(4-chloroanilino)triazolidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(C1NNNC1Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [5-(4-chloroanilino)triazolidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is FLLZCHUNQYDUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN6O/c20-13-5-7-14(8-6-13)22-18-17(23-25-24-18)19(28)27-11-9-26(10-12-27)16-4-2-1-3-15(16)21/h1-8,17-18,22-25H,9-12H2.
What are the key properties of [5-(4-chloroanilino)triazolidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[5-(4-chloroanilino)triazolidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 404.88 g/mol, XLogP of 1.55, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloroanilino)triazolidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 75584224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).