N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide

C23H21N5O3 — CID 134131558

IUPACN-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide
SMILESCCOc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C23H21N5O3/c1-3-31-19-14-10-17(11-15-19)28-26-22(25-27-28)20-6-4-5-7-21(20)24-23(29)16-8-12-18(30-2)13-9-16/h4-15H,3H2,1-2H3,(H,24,29)
InChIKeyKWNWATIFBIPUJA-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.99
Rot. Bonds7

About N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide

N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide (PubChem CID 134131558) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide
PubChem CID134131558
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC NameN-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide
SMILESCCOc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C23H21N5O3/c1-3-31-19-14-10-17(11-15-19)28-26-22(25-27-28)20-6-4-5-7-21(20)24-23(29)16-8-12-18(30-2)13-9-16/h4-15H,3H2,1-2H3,(H,24,29)
InChIKeyKWNWATIFBIPUJA-UHFFFAOYSA-N
XLogP3.99
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide (CID 134131558) is N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide is CCOc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide?
The InChIKey is KWNWATIFBIPUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-3-31-19-14-10-17(11-15-19)28-26-22(25-27-28)20-6-4-5-7-21(20)24-23(29)16-8-12-18(30-2)13-9-16/h4-15H,3H2,1-2H3,(H,24,29).
What are the key properties of N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide?
N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide has a molecular weight of 415.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 134131558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).