4-methoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide

C22H19N5O3 — CID 134131216

IUPAC4-methoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C22H19N5O3/c1-29-17-11-7-15(8-12-17)22(28)23-20-6-4-3-5-19(20)21-24-26-27(25-21)16-9-13-18(30-2)14-10-16/h3-14H,1-2H3,(H,23,28)
InChIKeySXABNFMIJZBSPG-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.60
Rot. Bonds6

About 4-methoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide

4-methoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide (PubChem CID 134131216) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 4-methoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide
PubChem CID134131216
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name4-methoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C22H19N5O3/c1-29-17-11-7-15(8-12-17)22(28)23-20-6-4-3-5-19(20)21-24-26-27(25-21)16-9-13-18(30-2)14-10-16/h3-14H,1-2H3,(H,23,28)
InChIKeySXABNFMIJZBSPG-UHFFFAOYSA-N
XLogP3.60
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide (CID 134131216) is 4-methoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide?
The InChIKey is SXABNFMIJZBSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-29-17-11-7-15(8-12-17)22(28)23-20-6-4-3-5-19(20)21-24-26-27(25-21)16-9-13-18(30-2)14-10-16/h3-14H,1-2H3,(H,23,28).
What are the key properties of 4-methoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide?
4-methoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide has a molecular weight of 401.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 134131216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).