3-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide

C12H12F2N4O2 — CID 83101811

IUPAC3-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
SMILESCOc1n[nH]c(NC(=O)CCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H12F2N4O2/c1-20-12-16-11(17-18-12)15-10(19)5-3-7-2-4-8(13)9(14)6-7/h2,4,6H,3,5H2,1H3,(H2,15,16,17,18,19)
InChIKeyMIPZYOZGAUGLEE-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.66
Rot. Bonds5

About 3-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide

3-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 83101811) has the molecular formula C12H12F2N4O2 and a molecular weight of 282.25 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
PubChem CID83101811
Molecular FormulaC12H12F2N4O2
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name3-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
SMILESCOc1n[nH]c(NC(=O)CCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H12F2N4O2/c1-20-12-16-11(17-18-12)15-10(19)5-3-7-2-4-8(13)9(14)6-7/h2,4,6H,3,5H2,1H3,(H2,15,16,17,18,19)
InChIKeyMIPZYOZGAUGLEE-UHFFFAOYSA-N
XLogP1.66
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide (CID 83101811) is 3-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide is COc1n[nH]c(NC(=O)CCc2ccc(F)c(F)c2)n1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is MIPZYOZGAUGLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2/c1-20-12-16-11(17-18-12)15-10(19)5-3-7-2-4-8(13)9(14)6-7/h2,4,6H,3,5H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 3-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide?
3-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 282.25 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 83101811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).