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

C14H16F2N4O — CID 51107555

IUPAC3-(2,5-difluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(C)c1nc(NC(=O)CCc2cc(F)ccc2F)n[nH]1
InChIInChI=1S/C14H16F2N4O/c1-8(2)13-18-14(20-19-13)17-12(21)6-3-9-7-10(15)4-5-11(9)16/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyNALIZOHRTZNYFU-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.78
Rot. Bonds5

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

3-(2,5-difluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 51107555) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID51107555
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name3-(2,5-difluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(C)c1nc(NC(=O)CCc2cc(F)ccc2F)n[nH]1
InChIInChI=1S/C14H16F2N4O/c1-8(2)13-18-14(20-19-13)17-12(21)6-3-9-7-10(15)4-5-11(9)16/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyNALIZOHRTZNYFU-UHFFFAOYSA-N
XLogP2.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-phenyl-1H-1,2,4-triazol-5-yl)propanamide
CID 32460731
N-(5-Phenyl-1H-1,2,4-triazol-3-yl)butanamide
CID 20974734
3-phenyl-N-(3-phenyl-1H-1,2,4-triazol-5-yl)propanamide
CID 17487156
2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 2340663
3-phenyl-N-[N'-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamimidoyl]butanamide
CID 90667234
3,3-diphenyl-N-[N'-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamimidoyl]propanamide
CID 90667235
4-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 2340641
2-(4-fluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 51107569
2-(2-Fluorophenyl)-1-[3-(5-methyl-4H-1,2,4-triazol-3-YL)piperidin-1-YL]ethan-1-one
CID 53192164
3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidine
CID 56874754
N-({1-[2-(3-Fluorophenyl)ethyl]piperidin-4-YL}methyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-YL)propanamide
CID 72905447
1-{4-[(5-Ethyl-4H-1,2,4-triazol-3-YL)methyl]piperidin-1-YL}-2-(3-fluorophenyl)ethan-1-one
CID 91909431

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide (CID 51107555) is 3-(2,5-difluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide is CC(C)c1nc(NC(=O)CCc2cc(F)ccc2F)n[nH]1.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is NALIZOHRTZNYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-8(2)13-18-14(20-19-13)17-12(21)6-3-9-7-10(15)4-5-11(9)16/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 3-(2,5-difluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
3-(2,5-difluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 294.31 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 51107555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).