N-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide

C17H14Cl2N4O2 — CID 154839957

IUPACN-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCOc1cc(Cl)c(Cl)cc1NC(=O)c1nn(-c2ccccc2)nc1C
InChIInChI=1S/C17H14Cl2N4O2/c1-10-16(22-23(21-10)11-6-4-3-5-7-11)17(24)20-14-8-12(18)13(19)9-15(14)25-2/h3-9H,1-2H3,(H,20,24)
InChIKeyRSWHRPJZWRFQPA-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.14
Rot. Bonds4

About N-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide

N-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 154839957) has the molecular formula C17H14Cl2N4O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is N-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
PubChem CID154839957
Molecular FormulaC17H14Cl2N4O2
Molecular Weight377.23 g/mol
Exact Mass376.05
IUPAC NameN-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCOc1cc(Cl)c(Cl)cc1NC(=O)c1nn(-c2ccccc2)nc1C
InChIInChI=1S/C17H14Cl2N4O2/c1-10-16(22-23(21-10)11-6-4-3-5-7-11)17(24)20-14-8-12(18)13(19)9-15(14)25-2/h3-9H,1-2H3,(H,20,24)
InChIKeyRSWHRPJZWRFQPA-UHFFFAOYSA-N
XLogP4.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 9098208
N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 26085730
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17435427
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 42058107
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyltriazole-4-carboxamide
CID 51174918
N-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 46399207
N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 46687305
2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 78882498
N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26884366
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 9403965
N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
CID 135968921
5-methyl-2-phenyltriazole-4-carbohydrazide
CID 2774345

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide (CID 154839957) is N-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide is COc1cc(Cl)c(Cl)cc1NC(=O)c1nn(-c2ccccc2)nc1C.
What is the InChIKey of N-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is RSWHRPJZWRFQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2/c1-10-16(22-23(21-10)11-6-4-3-5-7-11)17(24)20-14-8-12(18)13(19)9-15(14)25-2/h3-9H,1-2H3,(H,20,24).
What are the key properties of N-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide?
N-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 377.23 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 154839957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).