1-[4-(4-fluorophenyl)-3-(2-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone

C23H20FN3O2 — CID 19630071

IUPAC1-[4-(4-fluorophenyl)-3-(2-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
SMILESCOc1ccccc1C1N(c2ccccc2)N=C(C(C)=O)N1c1ccc(F)cc1
InChIInChI=1S/C23H20FN3O2/c1-16(28)22-25-27(19-8-4-3-5-9-19)23(20-10-6-7-11-21(20)29-2)26(22)18-14-12-17(24)13-15-18/h3-15,23H,1-2H3
InChIKeyVJZFSOSVCMCYNK-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.76
Rot. Bonds5

About 1-[4-(4-fluorophenyl)-3-(2-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone

1-[4-(4-fluorophenyl)-3-(2-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone (PubChem CID 19630071) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-3-(2-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-3-(2-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
PubChem CID19630071
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name1-[4-(4-fluorophenyl)-3-(2-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
SMILESCOc1ccccc1C1N(c2ccccc2)N=C(C(C)=O)N1c1ccc(F)cc1
InChIInChI=1S/C23H20FN3O2/c1-16(28)22-25-27(19-8-4-3-5-9-19)23(20-10-6-7-11-21(20)29-2)26(22)18-14-12-17(24)13-15-18/h3-15,23H,1-2H3
InChIKeyVJZFSOSVCMCYNK-UHFFFAOYSA-N
XLogP4.76
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-[2-[(2-chlorophenyl)methoxy]phenyl]-4-(4-fluorophenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
CID 26975289
1-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)-3H-1,2,4-triazol-5-yl]ethanone
CID 3440232
1-[(3R)-2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-3H-1,2,4-triazol-5-yl]ethanone
CID 40732470
1-[(3S)-3,4-bis(4-chlorophenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
CID 2716982
1-[3-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-[4-(dimethylamino)phenyl]-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
CID 5050657
(2R)-3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 780391
1-[(3R)-3-(5-chloro-2-phenylmethoxyphenyl)-2-(4-methylphenyl)-4-phenyl-3H-1,2,4-triazol-5-yl]ethanone
CID 27046999
1-[(3R)-3-[2-[(2-chlorophenyl)methoxy]phenyl]-4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-3H-1,2,4-triazol-5-yl]ethanone
CID 98104780
1-[(3R)-3-[4-(dimethylamino)phenyl]-4-(4-methylphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
CID 7255986
1-[3-[3-[(4-chlorophenyl)methoxy]phenyl]-4-(4-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
CID 3357401
[(2R,3S)-2-(2-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl] acetate
CID 10903010
N-[3-[(3S)-5-acetyl-3-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)-3H-1,2,4-triazol-4-yl]phenyl]-2-methylbenzamide
CID 98104799

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-3-(2-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)-3-(2-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone (CID 19630071) is 1-[4-(4-fluorophenyl)-3-(2-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-3-(2-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)-3-(2-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone is COc1ccccc1C1N(c2ccccc2)N=C(C(C)=O)N1c1ccc(F)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-3-(2-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone?
The InChIKey is VJZFSOSVCMCYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-16(28)22-25-27(19-8-4-3-5-9-19)23(20-10-6-7-11-21(20)29-2)26(22)18-14-12-17(24)13-15-18/h3-15,23H,1-2H3.
What are the key properties of 1-[4-(4-fluorophenyl)-3-(2-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone?
1-[4-(4-fluorophenyl)-3-(2-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone has a molecular weight of 389.43 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-3-(2-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone is sourced from PubChem (CID 19630071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).