N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide

C19H19ClN4O3 — CID 16651720

IUPACN-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCOCc1c(C(=O)Nc2cc(OC)ccc2Cl)nnn1-c1cccc(C)c1
InChIInChI=1S/C19H19ClN4O3/c1-12-5-4-6-13(9-12)24-17(11-26-2)18(22-23-24)19(25)21-16-10-14(27-3)7-8-15(16)20/h4-10H,11H2,1-3H3,(H,21,25)
InChIKeyJLQYUFICFATZCK-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.64
Rot. Bonds6

About N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide

N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide (PubChem CID 16651720) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
PubChem CID16651720
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC NameN-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCOCc1c(C(=O)Nc2cc(OC)ccc2Cl)nnn1-c1cccc(C)c1
InChIInChI=1S/C19H19ClN4O3/c1-12-5-4-6-13(9-12)24-17(11-26-2)18(22-23-24)19(25)21-16-10-14(27-3)7-8-15(16)20/h4-10H,11H2,1-3H3,(H,21,25)
InChIKeyJLQYUFICFATZCK-UHFFFAOYSA-N
XLogP3.64
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 17015703
5-(methoxymethyl)-N-(3-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651697
5-(methoxymethyl)-N-(2-methylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651695
5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide
CID 16651694
N-(2,5-dichlorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 16651608
N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651724
N-(5-acetyl-2-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651776
1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 16651925
N-(2,4-dimethylphenyl)-5-(methoxymethyl)-1-phenyltriazole-4-carboxamide
CID 16651250
N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 16651616
5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide
CID 27261436
N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide
CID 91885850

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide (CID 16651720) is N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide is COCc1c(C(=O)Nc2cc(OC)ccc2Cl)nnn1-c1cccc(C)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is JLQYUFICFATZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-12-5-4-6-13(9-12)24-17(11-26-2)18(22-23-24)19(25)21-16-10-14(27-3)7-8-15(16)20/h4-10H,11H2,1-3H3,(H,21,25).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 16651720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).