(2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide

C18H17FN4O2 — CID 9246906

IUPAC(2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2n[nH]c(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C18H17FN4O2/c1-11-4-3-5-15(10-11)25-12(2)17(24)21-18-20-16(22-23-18)13-6-8-14(19)9-7-13/h3-10,12H,1-2H3,(H2,20,21,22,23,24)/t12-/m0/s1
InChIKeyFFTDAEKSPNUNAI-LBPRGKRZSA-N
MW340.36 g/mol
LogP3.33
Rot. Bonds5

About (2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide

(2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide (PubChem CID 9246906) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is (2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide
PubChem CID9246906
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name(2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2n[nH]c(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C18H17FN4O2/c1-11-4-3-5-15(10-11)25-12(2)17(24)21-18-20-16(22-23-18)13-6-8-14(19)9-7-13/h3-10,12H,1-2H3,(H2,20,21,22,23,24)/t12-/m0/s1
InChIKeyFFTDAEKSPNUNAI-LBPRGKRZSA-N
XLogP3.33
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 27446892
(2R)-N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide
CID 9245949
N-[5-(3-chloro-4-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)propanamide
CID 136532336
2-(4-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 86992055
N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide
CID 71545968
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
(2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 32622848
2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 43021015
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
(2S)-N-(2-fluorophenyl)-2-(3-methylphenoxy)propanamide
CID 2710252

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide (CID 9246906) is (2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide is Cc1cccc(O[C@@H](C)C(=O)Nc2n[nH]c(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of (2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide?
The InChIKey is FFTDAEKSPNUNAI-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-11-4-3-5-15(10-11)25-12(2)17(24)21-18-20-16(22-23-18)13-6-8-14(19)9-7-13/h3-10,12H,1-2H3,(H2,20,21,22,23,24)/t12-/m0/s1.
What are the key properties of (2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide?
(2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide has a molecular weight of 340.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 9246906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).