N-(2,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide

C19H19FN4O4 — CID 122172311

IUPACN-(2,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ncn(CC(O)c3ccc(F)cc3)n2)c(OC)c1
InChIInChI=1S/C19H19FN4O4/c1-27-14-7-8-15(17(9-14)28-2)22-19(26)18-21-11-24(23-18)10-16(25)12-3-5-13(20)6-4-12/h3-9,11,16,25H,10H2,1-2H3,(H,22,26)
InChIKeyUEDQLHPUWXOLDQ-UHFFFAOYSA-N
MW386.38 g/mol
LogP2.42
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide

N-(2,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide (PubChem CID 122172311) has the molecular formula C19H19FN4O4 and a molecular weight of 386.38 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide
PubChem CID122172311
Molecular FormulaC19H19FN4O4
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC NameN-(2,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ncn(CC(O)c3ccc(F)cc3)n2)c(OC)c1
InChIInChI=1S/C19H19FN4O4/c1-27-14-7-8-15(17(9-14)28-2)22-19(26)18-21-11-24(23-18)10-16(25)12-3-5-13(20)6-4-12/h3-9,11,16,25H,10H2,1-2H3,(H,22,26)
InChIKeyUEDQLHPUWXOLDQ-UHFFFAOYSA-N
XLogP2.42
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide
CID 122172337
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 122172361
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide
CID 48846730
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
CID 27844760
methyl 1-[2-hydroxy-2-(4-methylphenyl)ethyl]-1,2,4-triazole-3-carboxylate
CID 109412221
N-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)-2-pyridin-2-ylacetamide
CID 110373578
1-(2,4-dimethoxyphenyl)-3-[1-(4-fluorophenyl)ethyl]thiourea
CID 133215327
N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 50772604
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide
CID 99956520
2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 62060818
N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 26734824

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide (CID 122172311) is N-(2,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide is COc1ccc(NC(=O)c2ncn(CC(O)c3ccc(F)cc3)n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is UEDQLHPUWXOLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4/c1-27-14-7-8-15(17(9-14)28-2)22-19(26)18-21-11-24(23-18)10-16(25)12-3-5-13(20)6-4-12/h3-9,11,16,25H,10H2,1-2H3,(H,22,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide?
N-(2,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 122172311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).