3-(4-fluorophenyl)-3-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C18H17FN4O — CID 46993011

IUPAC3-(4-fluorophenyl)-3-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESO=C(CC(c1ccccc1)c1ccc(F)cc1)NCc1ncn[nH]1
InChIInChI=1S/C18H17FN4O/c19-15-8-6-14(7-9-15)16(13-4-2-1-3-5-13)10-18(24)20-11-17-21-12-22-23-17/h1-9,12,16H,10-11H2,(H,20,24)(H,21,22,23)
InChIKeyUZUUIKQDBNQSGD-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.78
Rot. Bonds6

About 3-(4-fluorophenyl)-3-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

3-(4-fluorophenyl)-3-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 46993011) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID46993011
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name3-(4-fluorophenyl)-3-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESO=C(CC(c1ccccc1)c1ccc(F)cc1)NCc1ncn[nH]1
InChIInChI=1S/C18H17FN4O/c19-15-8-6-14(7-9-15)16(13-4-2-1-3-5-13)10-18(24)20-11-17-21-12-22-23-17/h1-9,12,16H,10-11H2,(H,20,24)(H,21,22,23)
InChIKeyUZUUIKQDBNQSGD-UHFFFAOYSA-N
XLogP2.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-3-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 46993011) is 3-(4-fluorophenyl)-3-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-3-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-3-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is O=C(CC(c1ccccc1)c1ccc(F)cc1)NCc1ncn[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-3-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is UZUUIKQDBNQSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-15-8-6-14(7-9-15)16(13-4-2-1-3-5-13)10-18(24)20-11-17-21-12-22-23-17/h1-9,12,16H,10-11H2,(H,20,24)(H,21,22,23).
What are the key properties of 3-(4-fluorophenyl)-3-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
3-(4-fluorophenyl)-3-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 324.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 46993011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).