1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide

C20H21FN4O2 — CID 42944993

IUPAC1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(C(C)N(C)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H21FN4O2/c1-13(15-5-11-18(27-4)12-6-15)24(3)20(26)19-22-14(2)25(23-19)17-9-7-16(21)8-10-17/h5-13H,1-4H3
InChIKeyRXTNRCZDYUEHQI-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide

1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide (PubChem CID 42944993) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide
PubChem CID42944993
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(C(C)N(C)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H21FN4O2/c1-13(15-5-11-18(27-4)12-6-15)24(3)20(26)19-22-14(2)25(23-19)17-9-7-16(21)8-10-17/h5-13H,1-4H3
InChIKeyRXTNRCZDYUEHQI-UHFFFAOYSA-N
XLogP3.56
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 94031179
1-(4-fluorophenyl)-N-methyl-N-(1-pyridin-4-ylethyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 60571326
N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 71940416
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 25498964
1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 7018908
N-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 46677441
2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 86921719
[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 51246088
N-(2,2-dichloroethyl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 126826968
2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide
CID 18102328
N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 126807350
1-[4-[1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperazin-1-yl]ethanone
CID 47014485

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide (CID 42944993) is 1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide is COc1ccc(C(C)N(C)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide?
The InChIKey is RXTNRCZDYUEHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-13(15-5-11-18(27-4)12-6-15)24(3)20(26)19-22-14(2)25(23-19)17-9-7-16(21)8-10-17/h5-13H,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide?
1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42944993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).