N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-methoxyphenyl)acetamide

C18H17FN4O2 — CID 39855212

IUPACN-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ncn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H17FN4O2/c1-25-16-8-4-13(5-9-16)10-17(24)21-18-20-12-23(22-18)11-14-2-6-15(19)7-3-14/h2-9,12H,10-11H2,1H3,(H,21,22,24)
InChIKeyRTDWAFBZLGEAQS-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.66
Rot. Bonds6

About N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-methoxyphenyl)acetamide

N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 39855212) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID39855212
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ncn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H17FN4O2/c1-25-16-8-4-13(5-9-16)10-17(24)21-18-20-12-23(22-18)11-14-2-6-15(19)7-3-14/h2-9,12H,10-11H2,1H3,(H,21,22,24)
InChIKeyRTDWAFBZLGEAQS-UHFFFAOYSA-N
XLogP2.66
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyryl-N,N'-bis(4-methoxybenzyl)-1H-1,2,4-triazole-3,5-diamine
CID 2236561
N-(5,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methoxybenzamide
CID 2931606
1-(4-methoxybenzoyl)-1H-1,2,4-triazol-3-amine
CID 3235777
N-[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
CID 3745344
(2E)-N-(5,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 135419161
(2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-(1,2,4-triazol-1-yl)ethyl]-2-phenylpropanamide
CID 168291461
1-[7-(4-Methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 3146675
N-(5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methoxybenzamide
CID 135520821
N-benzyl-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 666993
7-(4-Methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 645489
(3-Amino-1,2,4-triazol-1-yl)-(4-hexoxyphenyl)methanone
CID 659941
N,N'-bis(2-methoxybenzyl)-1-propionyl-1H-1,2,4-triazole-3,5-diamine
CID 1258314

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-methoxyphenyl)acetamide (CID 39855212) is N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ncn(Cc3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is RTDWAFBZLGEAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-25-16-8-4-13(5-9-16)10-17(24)21-18-20-12-23(22-18)11-14-2-6-15(19)7-3-14/h2-9,12H,10-11H2,1H3,(H,21,22,24).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-methoxyphenyl)acetamide?
N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 340.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 39855212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).