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

C19H22ClFN6O — CID 75584225

IUPAC[5-(4-chloroanilino)triazolidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1NNNC1Nc1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22ClFN6O/c20-13-1-5-15(6-2-13)22-18-17(23-25-24-18)19(28)27-11-9-26(10-12-27)16-7-3-14(21)4-8-16/h1-8,17-18,22-25H,9-12H2
InChIKeyRFECIANIIJLIRV-UHFFFAOYSA-N
MW404.88 g/mol
LogP1.55
Rot. Bonds4

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

[5-(4-chloroanilino)triazolidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 75584225) 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-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-chloroanilino)triazolidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID75584225
Molecular FormulaC19H22ClFN6O
Molecular Weight404.88 g/mol
Exact Mass404.15
IUPAC Name[5-(4-chloroanilino)triazolidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1NNNC1Nc1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22ClFN6O/c20-13-1-5-15(6-2-13)22-18-17(23-25-24-18)19(28)27-11-9-26(10-12-27)16-7-3-14(21)4-8-16/h1-8,17-18,22-25H,9-12H2
InChIKeyRFECIANIIJLIRV-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

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Related Compounds

[5-(4-chloroanilino)triazolidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 75584224
[5-(3-chloroanilino)triazolidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 75584329
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 45014849
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
2-[(4-chlorophenyl)methylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 108998099
(Z)-3-(4-chloroanilino)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile
CID 108854848
1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17082146
1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 110371137
[5-(3-chloroanilino)triazolidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 75584345
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 112502808
N-(4-fluorophenyl)-2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16809605
5-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]triazolidine-4-carboxamide
CID 75584042

Frequently Asked Questions

What is the IUPAC name of [5-(4-chloroanilino)triazolidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(4-chloroanilino)triazolidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 75584225) is [5-(4-chloroanilino)triazolidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-chloroanilino)triazolidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(4-chloroanilino)triazolidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(C1NNNC1Nc1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [5-(4-chloroanilino)triazolidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is RFECIANIIJLIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN6O/c20-13-1-5-15(6-2-13)22-18-17(23-25-24-18)19(28)27-11-9-26(10-12-27)16-7-3-14(21)4-8-16/h1-8,17-18,22-25H,9-12H2.
What are the key properties of [5-(4-chloroanilino)triazolidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[5-(4-chloroanilino)triazolidin-4-yl]-[4-(4-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-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 75584225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).