N-[5-(3-chloro-4-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)propanamide

C17H14ClFN4O3 — CID 136532336

IUPACN-[5-(3-chloro-4-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)Nc1n[nH]c(-c2ccc(O)c(Cl)c2)n1
InChIInChI=1S/C17H14ClFN4O3/c1-9(26-12-4-2-3-11(19)8-12)16(25)21-17-20-15(22-23-17)10-5-6-14(24)13(18)7-10/h2-9,24H,1H3,(H2,20,21,22,23,25)
InChIKeyFIKDFIKFBFEZTK-UHFFFAOYSA-N
MW376.78 g/mol
LogP3.38
Rot. Bonds5

About N-[5-(3-chloro-4-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)propanamide

N-[5-(3-chloro-4-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)propanamide (PubChem CID 136532336) has the molecular formula C17H14ClFN4O3 and a molecular weight of 376.78 g/mol. Its IUPAC name is N-[5-(3-chloro-4-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[5-(3-chloro-4-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)propanamide
PubChem CID136532336
Molecular FormulaC17H14ClFN4O3
Molecular Weight376.78 g/mol
Exact Mass376.07
IUPAC NameN-[5-(3-chloro-4-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)Nc1n[nH]c(-c2ccc(O)c(Cl)c2)n1
InChIInChI=1S/C17H14ClFN4O3/c1-9(26-12-4-2-3-11(19)8-12)16(25)21-17-20-15(22-23-17)10-5-6-14(24)13(18)7-10/h2-9,24H,1H3,(H2,20,21,22,23,25)
InChIKeyFIKDFIKFBFEZTK-UHFFFAOYSA-N
XLogP3.38
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.78
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide
CID 9246906
(2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 27446892
N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide
CID 71545968
(2R)-N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide
CID 9245949
2-(4-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 86992055
2-(3-fluorophenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide
CID 43991214
2-(4-chloro-3-methylphenoxy)-N-(3-fluorophenyl)propanamide
CID 53265982
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2-phenoxypropanamide
CID 69061525
3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide
CID 31720433
N-(2-ethylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86918484
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834540
(2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834470

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-4-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)propanamide?
The IUPAC name of N-[5-(3-chloro-4-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)propanamide (CID 136532336) is N-[5-(3-chloro-4-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)propanamide.
What is the SMILES notation for N-[5-(3-chloro-4-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)propanamide?
The canonical SMILES for N-[5-(3-chloro-4-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)propanamide is CC(Oc1cccc(F)c1)C(=O)Nc1n[nH]c(-c2ccc(O)c(Cl)c2)n1.
What is the InChIKey of N-[5-(3-chloro-4-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)propanamide?
The InChIKey is FIKDFIKFBFEZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O3/c1-9(26-12-4-2-3-11(19)8-12)16(25)21-17-20-15(22-23-17)10-5-6-14(24)13(18)7-10/h2-9,24H,1H3,(H2,20,21,22,23,25).
What are the key properties of N-[5-(3-chloro-4-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)propanamide?
N-[5-(3-chloro-4-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)propanamide has a molecular weight of 376.78 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chloro-4-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)propanamide is sourced from PubChem (CID 136532336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).