2-(2-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C13H15FN4O2 — CID 64510720

IUPAC2-(2-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCC(Oc1ccccc1F)C(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C13H15FN4O2/c1-9(20-11-6-4-3-5-10(11)14)13(19)18(2)7-12-15-8-16-17-12/h3-6,8-9H,7H2,1-2H3,(H,15,16,17)
InChIKeyIYHHSSOFFZWONI-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.37
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

2-(2-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 64510720) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID64510720
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name2-(2-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCC(Oc1ccccc1F)C(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C13H15FN4O2/c1-9(20-11-6-4-3-5-10(11)14)13(19)18(2)7-12-15-8-16-17-12/h3-6,8-9H,7H2,1-2H3,(H,15,16,17)
InChIKeyIYHHSSOFFZWONI-UHFFFAOYSA-N
XLogP1.37
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenoxyethyl)-1H-1,2,4-triazole-3-carboxamide
CID 2229845
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 586998
1-[4-(5-Cyclopropyl-4H-1,2,4-triazol-3-YL)piperidin-1-YL]-2-(4-fluorophenoxy)ethan-1-one
CID 53192427
2-(4-Fluorophenoxy)-1-[4-(4-propyl-4H-1,2,4-triazol-3-YL)piperidin-1-YL]ethan-1-one
CID 53192588
1-[2-(2-Fluorophenoxy)ethyl]-1-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53500341
1-[3-(2-Fluorophenoxy)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53504222
4-(2-fluorophenoxy)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide
CID 53559490
1-[2-(3,4-Difluorophenoxy)ethyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53608139
2-(4-fluorophenoxy)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 56760429
2-(4-fluorophenoxy)-1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
CID 71928752
2-(3,4-difluorophenoxy)-1-[2-(4-methyl-4H-1,2,4-triazol-3-yl)piperidino]-1-ethanone
CID 87052101
1-{2-[4-(Cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]piperidin-1-YL}-2-(4-fluorophenoxy)ethan-1-one
CID 87052166

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 64510720) is 2-(2-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is CC(Oc1ccccc1F)C(=O)N(C)Cc1ncn[nH]1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is IYHHSSOFFZWONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-9(20-11-6-4-3-5-10(11)14)13(19)18(2)7-12-15-8-16-17-12/h3-6,8-9H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
2-(2-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 278.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 64510720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).