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

C24H23N5O2 — CID 118737181

IUPAC4-methoxy-N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]benzamide
SMILESCCCc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C24H23N5O2/c1-3-6-17-9-13-19(14-10-17)29-27-23(26-28-29)21-7-4-5-8-22(21)25-24(30)18-11-15-20(31-2)16-12-18/h4-5,7-16H,3,6H2,1-2H3,(H,25,30)
InChIKeyBDXJLBIZTFCXIJ-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.54
Rot. Bonds7

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

4-methoxy-N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]benzamide (PubChem CID 118737181) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 4-methoxy-N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]benzamide
PubChem CID118737181
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name4-methoxy-N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]benzamide
SMILESCCCc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C24H23N5O2/c1-3-6-17-9-13-19(14-10-17)29-27-23(26-28-29)21-7-4-5-8-22(21)25-24(30)18-11-15-20(31-2)16-12-18/h4-5,7-16H,3,6H2,1-2H3,(H,25,30)
InChIKeyBDXJLBIZTFCXIJ-UHFFFAOYSA-N
XLogP4.54
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]benzamide (CID 118737181) is 4-methoxy-N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]benzamide is CCCc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]benzamide?
The InChIKey is BDXJLBIZTFCXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-3-6-17-9-13-19(14-10-17)29-27-23(26-28-29)21-7-4-5-8-22(21)25-24(30)18-11-15-20(31-2)16-12-18/h4-5,7-16H,3,6H2,1-2H3,(H,25,30).
What are the key properties of 4-methoxy-N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]benzamide?
4-methoxy-N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]benzamide has a molecular weight of 413.48 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 118737181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).