1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide

C18H17ClN4O2 — CID 6484735

IUPAC1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nnn(-c2cccc(Cl)c2)c1C
InChIInChI=1S/C18H17ClN4O2/c1-3-25-16-10-5-4-9-15(16)20-18(24)17-12(2)23(22-21-17)14-8-6-7-13(19)11-14/h4-11H,3H2,1-2H3,(H,20,24)
InChIKeySLKYXJRXEFQHBV-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.88
Rot. Bonds5

About 1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide

1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 6484735) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID6484735
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nnn(-c2cccc(Cl)c2)c1C
InChIInChI=1S/C18H17ClN4O2/c1-3-25-16-10-5-4-9-15(16)20-18(24)17-12(2)23(22-21-17)14-8-6-7-13(19)11-14/h4-11H,3H2,1-2H3,(H,20,24)
InChIKeySLKYXJRXEFQHBV-UHFFFAOYSA-N
XLogP3.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651724
1-(3-bromophenyl)-N-(2,5-diethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55875233
5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 6498251
N-(2-ethoxyphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 22516243
5-amino-1-[(3-chlorophenyl)methyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 18578884
1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 2137572
1-(3-chlorophenyl)-N-(3-ethoxypropyl)-5-methyltriazole-4-carboxamide
CID 46858042
5-methyl-1-(3-nitrophenyl)-N-[2-(2-phenylethoxy)phenyl]triazole-4-carboxamide
CID 55675132
ethyl (2S)-2-[[1-(3-chlorophenyl)-5-methyltriazole-4-carbonyl]amino]-3-methylbutanoate
CID 97100019
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 112831271
N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 127046483
1-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55881177

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide (CID 6484735) is 1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide is CCOc1ccccc1NC(=O)c1nnn(-c2cccc(Cl)c2)c1C.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is SLKYXJRXEFQHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-3-25-16-10-5-4-9-15(16)20-18(24)17-12(2)23(22-21-17)14-8-6-7-13(19)11-14/h4-11H,3H2,1-2H3,(H,20,24).
What are the key properties of 1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide?
1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 6484735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).