N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide

C23H21N5O — CID 134131281

IUPACN-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H21N5O/c1-2-8-17-13-15-18(16-14-17)23(29)24-21-12-7-6-11-20(21)22-25-27-28(26-22)19-9-4-3-5-10-19/h3-7,9-16H,2,8H2,1H3,(H,24,29)
InChIKeyXQZCDMHOPAXVJP-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.53
Rot. Bonds6

About N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide

N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide (PubChem CID 134131281) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide
PubChem CID134131281
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H21N5O/c1-2-8-17-13-15-18(16-14-17)23(29)24-21-12-7-6-11-20(21)22-25-27-28(26-22)19-9-4-3-5-10-19/h3-7,9-16H,2,8H2,1H3,(H,24,29)
InChIKeyXQZCDMHOPAXVJP-UHFFFAOYSA-N
XLogP4.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Andolast
CID 65970
N-(2-Ethyl-phenyl)-3-phenyl-2-(1H-tetrazol-5-yl)-propionamide
CID 3170956
3-[(Dimethylamino)methyl]-N-[3-(1h-Tetrazol-5-Yl)phenyl]benzamide
CID 56851707
2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indazol-3-one
CID 24828038
4-nitro-N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]benzamide
CID 118737162
N-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-nitrobenzamide
CID 118737164
N-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 118737171
3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
CID 134129908
2-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
CID 134129976
N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
CID 134130015
4-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
CID 134130497
N-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide
CID 134131521

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide?
The IUPAC name of N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide (CID 134131281) is N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide.
What is the SMILES notation for N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide?
The canonical SMILES for N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide is CCCc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide?
The InChIKey is XQZCDMHOPAXVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-2-8-17-13-15-18(16-14-17)23(29)24-21-12-7-6-11-20(21)22-25-27-28(26-22)19-9-4-3-5-10-19/h3-7,9-16H,2,8H2,1H3,(H,24,29).
What are the key properties of N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide?
N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide has a molecular weight of 383.46 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide is sourced from PubChem (CID 134131281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).