N-(4-chlorophenyl)-5-ethyl-N-methyl-3-phenyltriazole-4-carboxamide

C18H17ClN4O — CID 46232736

IUPACN-(4-chlorophenyl)-5-ethyl-N-methyl-3-phenyltriazole-4-carboxamide
SMILESCCc1nnn(-c2ccccc2)c1C(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O/c1-3-16-17(23(21-20-16)15-7-5-4-6-8-15)18(24)22(2)14-11-9-13(19)10-12-14/h4-12H,3H2,1-2H3
InChIKeyPAZOLTNDALKORT-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.76
Rot. Bonds4

About N-(4-chlorophenyl)-5-ethyl-N-methyl-3-phenyltriazole-4-carboxamide

N-(4-chlorophenyl)-5-ethyl-N-methyl-3-phenyltriazole-4-carboxamide (PubChem CID 46232736) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-ethyl-N-methyl-3-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-ethyl-N-methyl-3-phenyltriazole-4-carboxamide
PubChem CID46232736
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC NameN-(4-chlorophenyl)-5-ethyl-N-methyl-3-phenyltriazole-4-carboxamide
SMILESCCc1nnn(-c2ccccc2)c1C(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O/c1-3-16-17(23(21-20-16)15-7-5-4-6-8-15)18(24)22(2)14-11-9-13(19)10-12-14/h4-12H,3H2,1-2H3
InChIKeyPAZOLTNDALKORT-UHFFFAOYSA-N
XLogP3.76
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one
CID 24274796
1-[1-(2,4-dichlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-3-(dimethylamino)prop-2-en-1-one
CID 5713998
[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]-[3-(3-chlorophenyl)-5-methyltriazol-4-yl]methanone
CID 70681679
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1-(2,4-dichlorophenyl)-5-methyltriazole-4-carboxamide
CID 118513302
1,2,3-Triazole, 1-(4-aminophenyl)-4-(diethylcarboxamide)-5-methyl-, hydrochloride
CID 115986
5-methyl-N,1-diphenyl-1H-1,2,3-triazole-4-carboxamide
CID 6464018
1-(4-Chlorophenyl)-n-(2,6-dimethylphenyl)-5-methyl-1h-1,2,3-triazole-4-carboxamide
CID 16649357
1-(4-chlorophenyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 46858281
[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyltriazol-4-yl]methanone
CID 70681678
[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]-(5-methyl-3-phenyltriazol-4-yl)methanone
CID 70683796
[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]-[3-(4-chlorophenyl)-5-methyltriazol-4-yl]methanone
CID 70683797
1-(2,4-Dichlorophenyl)-N-(2-(2-fluorophenyl)-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 118513298

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-ethyl-N-methyl-3-phenyltriazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-ethyl-N-methyl-3-phenyltriazole-4-carboxamide (CID 46232736) is N-(4-chlorophenyl)-5-ethyl-N-methyl-3-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-ethyl-N-methyl-3-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-ethyl-N-methyl-3-phenyltriazole-4-carboxamide is CCc1nnn(-c2ccccc2)c1C(=O)N(C)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-5-ethyl-N-methyl-3-phenyltriazole-4-carboxamide?
The InChIKey is PAZOLTNDALKORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-3-16-17(23(21-20-16)15-7-5-4-6-8-15)18(24)22(2)14-11-9-13(19)10-12-14/h4-12H,3H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-5-ethyl-N-methyl-3-phenyltriazole-4-carboxamide?
N-(4-chlorophenyl)-5-ethyl-N-methyl-3-phenyltriazole-4-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-ethyl-N-methyl-3-phenyltriazole-4-carboxamide is sourced from PubChem (CID 46232736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).