ethyl 3-[[4-(tetrazol-1-yl)benzoyl]amino]benzoate

C17H15N5O3 — CID 2355810

IUPACethyl 3-[[4-(tetrazol-1-yl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc(-n3cnnn3)cc2)c1
InChIInChI=1S/C17H15N5O3/c1-2-25-17(24)13-4-3-5-14(10-13)19-16(23)12-6-8-15(9-7-12)22-11-18-20-21-22/h3-11H,2H2,1H3,(H,19,23)
InChIKeyCMAQADZMDNLOGY-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.09
Rot. Bonds5

About ethyl 3-[[4-(tetrazol-1-yl)benzoyl]amino]benzoate

ethyl 3-[[4-(tetrazol-1-yl)benzoyl]amino]benzoate (PubChem CID 2355810) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is ethyl 3-[[4-(tetrazol-1-yl)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[4-(tetrazol-1-yl)benzoyl]amino]benzoate
PubChem CID2355810
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Nameethyl 3-[[4-(tetrazol-1-yl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc(-n3cnnn3)cc2)c1
InChIInChI=1S/C17H15N5O3/c1-2-25-17(24)13-4-3-5-14(10-13)19-16(23)12-6-8-15(9-7-12)22-11-18-20-21-22/h3-11H,2H2,1H3,(H,19,23)
InChIKeyCMAQADZMDNLOGY-UHFFFAOYSA-N
XLogP2.09
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-(tetrazol-1-yl)benzoyl]amino]benzoate?
The IUPAC name of ethyl 3-[[4-(tetrazol-1-yl)benzoyl]amino]benzoate (CID 2355810) is ethyl 3-[[4-(tetrazol-1-yl)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[4-(tetrazol-1-yl)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[4-(tetrazol-1-yl)benzoyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2ccc(-n3cnnn3)cc2)c1.
What is the InChIKey of ethyl 3-[[4-(tetrazol-1-yl)benzoyl]amino]benzoate?
The InChIKey is CMAQADZMDNLOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-2-25-17(24)13-4-3-5-14(10-13)19-16(23)12-6-8-15(9-7-12)22-11-18-20-21-22/h3-11H,2H2,1H3,(H,19,23).
What are the key properties of ethyl 3-[[4-(tetrazol-1-yl)benzoyl]amino]benzoate?
ethyl 3-[[4-(tetrazol-1-yl)benzoyl]amino]benzoate has a molecular weight of 337.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-(tetrazol-1-yl)benzoyl]amino]benzoate is sourced from PubChem (CID 2355810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).