N-(5-acetyl-2-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide

C18H17N5O3 — CID 118633152

IUPACN-(5-acetyl-2-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCCOc1ccc(C(C)=O)cc1NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H17N5O3/c1-3-26-17-8-7-13(12(2)24)10-16(17)20-18(25)14-5-4-6-15(9-14)23-11-19-21-22-23/h4-11H,3H2,1-2H3,(H,20,25)
InChIKeyRFJAKDAYIKQPOG-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.52
Rot. Bonds6

About N-(5-acetyl-2-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide

N-(5-acetyl-2-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 118633152) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-(5-acetyl-2-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-acetyl-2-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide
PubChem CID118633152
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC NameN-(5-acetyl-2-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCCOc1ccc(C(C)=O)cc1NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H17N5O3/c1-3-26-17-8-7-13(12(2)24)10-16(17)20-18(25)14-5-4-6-15(9-14)23-11-19-21-22-23/h4-11H,3H2,1-2H3,(H,20,25)
InChIKeyRFJAKDAYIKQPOG-UHFFFAOYSA-N
XLogP2.52
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(5-acetyl-2-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide (CID 118633152) is N-(5-acetyl-2-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(5-acetyl-2-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(5-acetyl-2-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide is CCOc1ccc(C(C)=O)cc1NC(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(5-acetyl-2-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is RFJAKDAYIKQPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-3-26-17-8-7-13(12(2)24)10-16(17)20-18(25)14-5-4-6-15(9-14)23-11-19-21-22-23/h4-11H,3H2,1-2H3,(H,20,25).
What are the key properties of N-(5-acetyl-2-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide?
N-(5-acetyl-2-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 351.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 118633152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).