ethyl 2-[4-(5-carbamoyl-2H-triazol-4-yl)-2-chloro-6-methoxyphenoxy]propanoate

C15H17ClN4O5 — CID 169404144

IUPACethyl 2-[4-(5-carbamoyl-2H-triazol-4-yl)-2-chloro-6-methoxyphenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1c(Cl)cc(-c2n[nH]nc2C(N)=O)cc1OC
InChIInChI=1S/C15H17ClN4O5/c1-4-24-15(22)7(2)25-13-9(16)5-8(6-10(13)23-3)11-12(14(17)21)19-20-18-11/h5-7H,4H2,1-3H3,(H2,17,21)(H,18,19,20)
InChIKeyVBJZQKBNDXNSHV-UHFFFAOYSA-N
MW368.78 g/mol
LogP1.56
Rot. Bonds7

About ethyl 2-[4-(5-carbamoyl-2H-triazol-4-yl)-2-chloro-6-methoxyphenoxy]propanoate

ethyl 2-[4-(5-carbamoyl-2H-triazol-4-yl)-2-chloro-6-methoxyphenoxy]propanoate (PubChem CID 169404144) has the molecular formula C15H17ClN4O5 and a molecular weight of 368.78 g/mol. Its IUPAC name is ethyl 2-[4-(5-carbamoyl-2H-triazol-4-yl)-2-chloro-6-methoxyphenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-(5-carbamoyl-2H-triazol-4-yl)-2-chloro-6-methoxyphenoxy]propanoate
PubChem CID169404144
Molecular FormulaC15H17ClN4O5
Molecular Weight368.78 g/mol
Exact Mass368.09
IUPAC Nameethyl 2-[4-(5-carbamoyl-2H-triazol-4-yl)-2-chloro-6-methoxyphenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1c(Cl)cc(-c2n[nH]nc2C(N)=O)cc1OC
InChIInChI=1S/C15H17ClN4O5/c1-4-24-15(22)7(2)25-13-9(16)5-8(6-10(13)23-3)11-12(14(17)21)19-20-18-11/h5-7H,4H2,1-3H3,(H2,17,21)(H,18,19,20)
InChIKeyVBJZQKBNDXNSHV-UHFFFAOYSA-N
XLogP1.56
TPSA129.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(5-carbamoyl-2H-triazol-4-yl)-2-chloro-6-ethoxyphenoxy]propanoic acid
CID 169403495
ethyl 5-[3-chloro-5-ethoxy-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]-2H-triazole-4-carboxylate
CID 169401146
ethyl 5-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2H-triazole-4-carboxylate
CID 169401001
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
ethyl 5-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-2H-triazole-4-carboxylate
CID 169400319
[4-(5-carbamoyl-2H-triazol-4-yl)-2-iodo-6-methoxyphenyl] acetate
CID 169403892
ethyl 5-[3-bromo-5-methoxy-4-(2-methylpropoxy)phenyl]-2H-triazole-4-carboxylate
CID 169401143
5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide
CID 169402811
ethyl 4-[5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxyphenoxy]butanoate
CID 169403958
[4-(5-carbamoyl-2H-triazol-4-yl)-2-iodo-6-methoxyphenyl] benzoate
CID 169404065
[2-bromo-4-(5-carbamoyl-2H-triazol-4-yl)-6-methoxyphenyl] benzoate
CID 169404005
5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169403795

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(5-carbamoyl-2H-triazol-4-yl)-2-chloro-6-methoxyphenoxy]propanoate?
The IUPAC name of ethyl 2-[4-(5-carbamoyl-2H-triazol-4-yl)-2-chloro-6-methoxyphenoxy]propanoate (CID 169404144) is ethyl 2-[4-(5-carbamoyl-2H-triazol-4-yl)-2-chloro-6-methoxyphenoxy]propanoate.
What is the SMILES notation for ethyl 2-[4-(5-carbamoyl-2H-triazol-4-yl)-2-chloro-6-methoxyphenoxy]propanoate?
The canonical SMILES for ethyl 2-[4-(5-carbamoyl-2H-triazol-4-yl)-2-chloro-6-methoxyphenoxy]propanoate is CCOC(=O)C(C)Oc1c(Cl)cc(-c2n[nH]nc2C(N)=O)cc1OC.
What is the InChIKey of ethyl 2-[4-(5-carbamoyl-2H-triazol-4-yl)-2-chloro-6-methoxyphenoxy]propanoate?
The InChIKey is VBJZQKBNDXNSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O5/c1-4-24-15(22)7(2)25-13-9(16)5-8(6-10(13)23-3)11-12(14(17)21)19-20-18-11/h5-7H,4H2,1-3H3,(H2,17,21)(H,18,19,20).
What are the key properties of ethyl 2-[4-(5-carbamoyl-2H-triazol-4-yl)-2-chloro-6-methoxyphenoxy]propanoate?
ethyl 2-[4-(5-carbamoyl-2H-triazol-4-yl)-2-chloro-6-methoxyphenoxy]propanoate has a molecular weight of 368.78 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(5-carbamoyl-2H-triazol-4-yl)-2-chloro-6-methoxyphenoxy]propanoate is sourced from PubChem (CID 169404144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).