N-(2,5-dichlorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide

C18H16Cl2N4O2 — CID 16651608

IUPACN-(2,5-dichlorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCOCc1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1-c1ccc(C)cc1
InChIInChI=1S/C18H16Cl2N4O2/c1-11-3-6-13(7-4-11)24-16(10-26-2)17(22-23-24)18(25)21-15-9-12(19)5-8-14(15)20/h3-9H,10H2,1-2H3,(H,21,25)
InChIKeyGDZWYEOVZGMUQI-UHFFFAOYSA-N
MW391.26 g/mol
LogP4.28
Rot. Bonds5

About N-(2,5-dichlorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide

N-(2,5-dichlorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 16651608) has the molecular formula C18H16Cl2N4O2 and a molecular weight of 391.26 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID16651608
Molecular FormulaC18H16Cl2N4O2
Molecular Weight391.26 g/mol
Exact Mass390.07
IUPAC NameN-(2,5-dichlorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCOCc1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1-c1ccc(C)cc1
InChIInChI=1S/C18H16Cl2N4O2/c1-11-3-6-13(7-4-11)24-16(10-26-2)17(22-23-24)18(25)21-15-9-12(19)5-8-14(15)20/h3-9H,10H2,1-2H3,(H,21,25)
InChIKeyGDZWYEOVZGMUQI-UHFFFAOYSA-N
XLogP4.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 16651616
N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651720
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
5-(methoxymethyl)-1-(4-methylphenyl)-N-propan-2-yltriazole-4-carboxamide
CID 16651675
N-(5-acetyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 16651940
1-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)triazole-4-carboxamide
CID 16651900
ethyl 2-[[1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 16651916
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-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2144859
1-(2,5-dichlorophenyl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 28811222

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide (CID 16651608) is N-(2,5-dichlorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide is COCc1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1-c1ccc(C)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is GDZWYEOVZGMUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O2/c1-11-3-6-13(7-4-11)24-16(10-26-2)17(22-23-24)18(25)21-15-9-12(19)5-8-14(15)20/h3-9H,10H2,1-2H3,(H,21,25).
What are the key properties of N-(2,5-dichlorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide?
N-(2,5-dichlorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 391.26 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 16651608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).