5-amino-N-(2-chlorophenyl)-1-[2-(2-ethoxyanilino)-2-oxoethyl]triazole-4-carboxamide

C19H19ClN6O3 — CID 3238309

IUPAC5-amino-N-(2-chlorophenyl)-1-[2-(2-ethoxyanilino)-2-oxoethyl]triazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2Cl)c1N
InChIInChI=1S/C19H19ClN6O3/c1-2-29-15-10-6-5-9-14(15)22-16(27)11-26-18(21)17(24-25-26)19(28)23-13-8-4-3-7-12(13)20/h3-10H,2,11,21H2,1H3,(H,22,27)(H,23,28)
InChIKeyROAJBFQHNHEVCP-UHFFFAOYSA-N
MW414.85 g/mol
LogP2.80
Rot. Bonds7

About 5-amino-N-(2-chlorophenyl)-1-[2-(2-ethoxyanilino)-2-oxoethyl]triazole-4-carboxamide

5-amino-N-(2-chlorophenyl)-1-[2-(2-ethoxyanilino)-2-oxoethyl]triazole-4-carboxamide (PubChem CID 3238309) has the molecular formula C19H19ClN6O3 and a molecular weight of 414.85 g/mol. Its IUPAC name is 5-amino-N-(2-chlorophenyl)-1-[2-(2-ethoxyanilino)-2-oxoethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-chlorophenyl)-1-[2-(2-ethoxyanilino)-2-oxoethyl]triazole-4-carboxamide
PubChem CID3238309
Molecular FormulaC19H19ClN6O3
Molecular Weight414.85 g/mol
Exact Mass414.12
IUPAC Name5-amino-N-(2-chlorophenyl)-1-[2-(2-ethoxyanilino)-2-oxoethyl]triazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2Cl)c1N
InChIInChI=1S/C19H19ClN6O3/c1-2-29-15-10-6-5-9-14(15)22-16(27)11-26-18(21)17(24-25-26)19(28)23-13-8-4-3-7-12(13)20/h3-10H,2,11,21H2,1H3,(H,22,27)(H,23,28)
InChIKeyROAJBFQHNHEVCP-UHFFFAOYSA-N
XLogP2.80
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-1-{2-[(2-methoxyphenyl)amino]-2-oxoethyl}-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 2134291
5-amino-N-(5-chloro-2-methoxyphenyl)-1-(3-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 2135888
5-amino-N-(2-methoxy-5-methylphenyl)-1-(2-phenylethyl)triazole-4-carboxamide
CID 2135897
5-amino-1-{2-[(2-ethoxyphenyl)amino]-2-oxoethyl}-N-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
CID 3237666
5-amino-1-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-N-phenyl-1H-1,2,3-triazole-4-carboxamide
CID 3241488
5-amino-1-{[(2-methoxyphenyl)carbamoyl]methyl}-N-phenyl-1H-1,2,3-triazole-4-carboxamide
CID 3243247
5-Amino-N-(4-ethoxyphenyl)-1-{[(2-methoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
CID 3243751
5-amino-N-(5-chloro-2-methoxyphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
CID 2134354
5-Amino-1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-N-(2,5-diethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
CID 15990801
5-Amino-N-(5-chloro-2-methoxyphenyl)-1-{[(3,5-dimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
CID 16798699
5-Amino-1-{[(3,5-dimethylphenyl)carbamoyl]methyl}-N-(2-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
CID 20853783
5-Amino-1-{[(3,5-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
CID 20853792

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chlorophenyl)-1-[2-(2-ethoxyanilino)-2-oxoethyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-chlorophenyl)-1-[2-(2-ethoxyanilino)-2-oxoethyl]triazole-4-carboxamide (CID 3238309) is 5-amino-N-(2-chlorophenyl)-1-[2-(2-ethoxyanilino)-2-oxoethyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-chlorophenyl)-1-[2-(2-ethoxyanilino)-2-oxoethyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-chlorophenyl)-1-[2-(2-ethoxyanilino)-2-oxoethyl]triazole-4-carboxamide is CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2Cl)c1N.
What is the InChIKey of 5-amino-N-(2-chlorophenyl)-1-[2-(2-ethoxyanilino)-2-oxoethyl]triazole-4-carboxamide?
The InChIKey is ROAJBFQHNHEVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O3/c1-2-29-15-10-6-5-9-14(15)22-16(27)11-26-18(21)17(24-25-26)19(28)23-13-8-4-3-7-12(13)20/h3-10H,2,11,21H2,1H3,(H,22,27)(H,23,28).
What are the key properties of 5-amino-N-(2-chlorophenyl)-1-[2-(2-ethoxyanilino)-2-oxoethyl]triazole-4-carboxamide?
5-amino-N-(2-chlorophenyl)-1-[2-(2-ethoxyanilino)-2-oxoethyl]triazole-4-carboxamide has a molecular weight of 414.85 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-chlorophenyl)-1-[2-(2-ethoxyanilino)-2-oxoethyl]triazole-4-carboxamide is sourced from PubChem (CID 3238309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).