ethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate

C20H20N4O3 — CID 138989702

IUPACethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccccc2-c2n[nH]c(CC)n2)cc1
InChIInChI=1S/C20H20N4O3/c1-3-17-22-18(24-23-17)15-7-5-6-8-16(15)21-19(25)13-9-11-14(12-10-13)20(26)27-4-2/h5-12H,3-4H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyADKMFFAADIYEDH-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.46
Rot. Bonds6

About ethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate

ethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate (PubChem CID 138989702) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is ethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate
PubChem CID138989702
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Nameethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccccc2-c2n[nH]c(CC)n2)cc1
InChIInChI=1S/C20H20N4O3/c1-3-17-22-18(24-23-17)15-7-5-6-8-16(15)21-19(25)13-9-11-14(12-10-13)20(26)27-4-2/h5-12H,3-4H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyADKMFFAADIYEDH-UHFFFAOYSA-N
XLogP3.46
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate with MolForge

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Related Compounds

N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methylsulfinylbenzamide
CID 138989499
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 167970718
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 138989490
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-6-sulfamoylpyridine-3-carboxamide
CID 154796060
4-(cyclopropylmethylsulfonyl)-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 146148764
2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
CID 138989696
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide
CID 138989491
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 86776880
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 167847284
ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate
CID 51046380
ethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
CID 135675399

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate?
The IUPAC name of ethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate (CID 138989702) is ethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate.
What is the SMILES notation for ethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate?
The canonical SMILES for ethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate is CCOC(=O)c1ccc(C(=O)Nc2ccccc2-c2n[nH]c(CC)n2)cc1.
What is the InChIKey of ethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate?
The InChIKey is ADKMFFAADIYEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-3-17-22-18(24-23-17)15-7-5-6-8-16(15)21-19(25)13-9-11-14(12-10-13)20(26)27-4-2/h5-12H,3-4H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of ethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate?
ethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate has a molecular weight of 364.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 138989702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).