1-(2,4-dichloro-5-methoxyphenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide

C17H13Cl2FN4O2 — CID 1486773

IUPAC1-(2,4-dichloro-5-methoxyphenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCOc1cc(-n2nc(C(=O)Nc3ccccc3F)nc2C)c(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2FN4O2/c1-9-21-16(17(25)22-13-6-4-3-5-12(13)20)23-24(9)14-8-15(26-2)11(19)7-10(14)18/h3-8H,1-2H3,(H,22,25)
InChIKeyKSYUYZLLZSBRSR-UHFFFAOYSA-N
MW395.22 g/mol
LogP4.28
Rot. Bonds4

About 1-(2,4-dichloro-5-methoxyphenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide

1-(2,4-dichloro-5-methoxyphenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 1486773) has the molecular formula C17H13Cl2FN4O2 and a molecular weight of 395.22 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-methoxyphenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichloro-5-methoxyphenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
PubChem CID1486773
Molecular FormulaC17H13Cl2FN4O2
Molecular Weight395.22 g/mol
Exact Mass394.04
IUPAC Name1-(2,4-dichloro-5-methoxyphenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCOc1cc(-n2nc(C(=O)Nc3ccccc3F)nc2C)c(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2FN4O2/c1-9-21-16(17(25)22-13-6-4-3-5-12(13)20)23-24(9)14-8-15(26-2)11(19)7-10(14)18/h3-8H,1-2H3,(H,22,25)
InChIKeyKSYUYZLLZSBRSR-UHFFFAOYSA-N
XLogP4.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.22
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 1486766
CID 1486766
CID 3737909
CID 3737909
CID 3831413
CID 3831413
CID 1484186
CID 1484186
CID 1486777
CID 1486777
CID 3743611
CID 3743611
CID 57840629
CID 57840629
CID 174370179
CID 174370179
CID 1473997
CID 1473997
CID 1484198
CID 1484198
CID 1484201
CID 1484201
CID 1486772
CID 1486772

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide (CID 1486773) is 1-(2,4-dichloro-5-methoxyphenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichloro-5-methoxyphenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichloro-5-methoxyphenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide is COc1cc(-n2nc(C(=O)Nc3ccccc3F)nc2C)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-methoxyphenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is KSYUYZLLZSBRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN4O2/c1-9-21-16(17(25)22-13-6-4-3-5-12(13)20)23-24(9)14-8-15(26-2)11(19)7-10(14)18/h3-8H,1-2H3,(H,22,25).
What are the key properties of 1-(2,4-dichloro-5-methoxyphenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
1-(2,4-dichloro-5-methoxyphenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 395.22 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-methoxyphenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 1486773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).