N-[2-(3-fluorophenyl)-2-methylpropyl]triazolidine-4-carboxamide

C13H19FN4O — CID 134068687

IUPACN-[2-(3-fluorophenyl)-2-methylpropyl]triazolidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1CNNN1)c1cccc(F)c1
InChIInChI=1S/C13H19FN4O/c1-13(2,9-4-3-5-10(14)6-9)8-15-12(19)11-7-16-18-17-11/h3-6,11,16-18H,7-8H2,1-2H3,(H,15,19)
InChIKeyLESSZSWYCOVZTP-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.20
Rot. Bonds4

About N-[2-(3-fluorophenyl)-2-methylpropyl]triazolidine-4-carboxamide

N-[2-(3-fluorophenyl)-2-methylpropyl]triazolidine-4-carboxamide (PubChem CID 134068687) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methylpropyl]triazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methylpropyl]triazolidine-4-carboxamide
PubChem CID134068687
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC NameN-[2-(3-fluorophenyl)-2-methylpropyl]triazolidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1CNNN1)c1cccc(F)c1
InChIInChI=1S/C13H19FN4O/c1-13(2,9-4-3-5-10(14)6-9)8-15-12(19)11-7-16-18-17-11/h3-6,11,16-18H,7-8H2,1-2H3,(H,15,19)
InChIKeyLESSZSWYCOVZTP-UHFFFAOYSA-N
XLogP0.20
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159147
N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide
CID 115194299
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-hydroxy-2-methylpropanamide
CID 115179051
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152192
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
CID 115154464
N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119796132
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
CID 119939575
4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119756992
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride
CID 119316485
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186794
2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 119796104

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]triazolidine-4-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]triazolidine-4-carboxamide (CID 134068687) is N-[2-(3-fluorophenyl)-2-methylpropyl]triazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methylpropyl]triazolidine-4-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methylpropyl]triazolidine-4-carboxamide is CC(C)(CNC(=O)C1CNNN1)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methylpropyl]triazolidine-4-carboxamide?
The InChIKey is LESSZSWYCOVZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-13(2,9-4-3-5-10(14)6-9)8-15-12(19)11-7-16-18-17-11/h3-6,11,16-18H,7-8H2,1-2H3,(H,15,19).
What are the key properties of N-[2-(3-fluorophenyl)-2-methylpropyl]triazolidine-4-carboxamide?
N-[2-(3-fluorophenyl)-2-methylpropyl]triazolidine-4-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 0.20, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methylpropyl]triazolidine-4-carboxamide is sourced from PubChem (CID 134068687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).