5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]triazolidine-4-carboxamide

C17H20FN5O2 — CID 75584069

IUPAC5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]triazolidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1NNNC1Nc1ccccc1F
InChIInChI=1S/C17H20FN5O2/c1-25-14-9-5-2-6-11(14)10-19-17(24)15-16(22-23-21-15)20-13-8-4-3-7-12(13)18/h2-9,15-16,20-23H,10H2,1H3,(H,19,24)
InChIKeyLESLUPUNLBPBGS-UHFFFAOYSA-N
MW345.38 g/mol
LogP0.87
Rot. Bonds6

About 5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]triazolidine-4-carboxamide

5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]triazolidine-4-carboxamide (PubChem CID 75584069) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]triazolidine-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]triazolidine-4-carboxamide
PubChem CID75584069
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]triazolidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1NNNC1Nc1ccccc1F
InChIInChI=1S/C17H20FN5O2/c1-25-14-9-5-2-6-11(14)10-19-17(24)15-16(22-23-21-15)20-13-8-4-3-7-12(13)18/h2-9,15-16,20-23H,10H2,1H3,(H,19,24)
InChIKeyLESLUPUNLBPBGS-UHFFFAOYSA-N
XLogP0.87
TPSA86.45 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 50.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

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2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
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N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
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CID 102890133
4-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 9246337
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CID 109136506
2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
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CID 110689662
3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide
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[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 8002848

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]triazolidine-4-carboxamide?
The IUPAC name of 5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]triazolidine-4-carboxamide (CID 75584069) is 5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]triazolidine-4-carboxamide.
What is the SMILES notation for 5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]triazolidine-4-carboxamide?
The canonical SMILES for 5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]triazolidine-4-carboxamide is COc1ccccc1CNC(=O)C1NNNC1Nc1ccccc1F.
What is the InChIKey of 5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]triazolidine-4-carboxamide?
The InChIKey is LESLUPUNLBPBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-25-14-9-5-2-6-11(14)10-19-17(24)15-16(22-23-21-15)20-13-8-4-3-7-12(13)18/h2-9,15-16,20-23H,10H2,1H3,(H,19,24).
What are the key properties of 5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]triazolidine-4-carboxamide?
5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]triazolidine-4-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 0.87, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]triazolidine-4-carboxamide is sourced from PubChem (CID 75584069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).