2-(1-phenyltetrazol-5-yl)-N,N-di(propan-2-yl)benzamide

C20H23N5O — CID 122566812

IUPAC2-(1-phenyltetrazol-5-yl)-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1-c1nnnn1-c1ccccc1)C(C)C
InChIInChI=1S/C20H23N5O/c1-14(2)24(15(3)4)20(26)18-13-9-8-12-17(18)19-21-22-23-25(19)16-10-6-5-7-11-16/h5-15H,1-4H3
InChIKeyASSQWOAWQGMBES-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.59
Rot. Bonds5

About 2-(1-phenyltetrazol-5-yl)-N,N-di(propan-2-yl)benzamide

2-(1-phenyltetrazol-5-yl)-N,N-di(propan-2-yl)benzamide (PubChem CID 122566812) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)-N,N-di(propan-2-yl)benzamide
PubChem CID122566812
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-(1-phenyltetrazol-5-yl)-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1-c1nnnn1-c1ccccc1)C(C)C
InChIInChI=1S/C20H23N5O/c1-14(2)24(15(3)4)20(26)18-13-9-8-12-17(18)19-21-22-23-25(19)16-10-6-5-7-11-16/h5-15H,1-4H3
InChIKeyASSQWOAWQGMBES-UHFFFAOYSA-N
XLogP3.59
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-phenyltetrazol-5-yl)-N,N-di(propan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide
CID 11822559
2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 1449901
2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide
CID 15268349
2-(6-amino-5-methyl-3-pyridinyl)-N,N-di(propan-2-yl)benzamide
CID 122560179
2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 62637944
5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide
CID 3079315
1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole
CID 57225080
ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate
CID 62007419
4-[2-[di(propan-2-yl)carbamoyl]phenyl]-1-ethylpyrazole-5-carboxylic acid
CID 122569219
5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole
CID 19594090
5-(1-methylsulfonylethyl)-1-phenyltetrazole
CID 47226147
2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide
CID 18565660

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)-N,N-di(propan-2-yl)benzamide (CID 122566812) is 2-(1-phenyltetrazol-5-yl)-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccccc1-c1nnnn1-c1ccccc1)C(C)C.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)-N,N-di(propan-2-yl)benzamide?
The InChIKey is ASSQWOAWQGMBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14(2)24(15(3)4)20(26)18-13-9-8-12-17(18)19-21-22-23-25(19)16-10-6-5-7-11-16/h5-15H,1-4H3.
What are the key properties of 2-(1-phenyltetrazol-5-yl)-N,N-di(propan-2-yl)benzamide?
2-(1-phenyltetrazol-5-yl)-N,N-di(propan-2-yl)benzamide has a molecular weight of 349.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 122566812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).