N-(2-butyltetrazol-5-yl)-4-phenylbenzamide

C18H19N5O — CID 2219056

IUPACN-(2-butyltetrazol-5-yl)-4-phenylbenzamide
SMILESCCCCn1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C18H19N5O/c1-2-3-13-23-21-18(20-22-23)19-17(24)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,2-3,13H2,1H3,(H,19,21,24)
InChIKeyBNALZWFZCXJAHQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.39
Rot. Bonds6

About N-(2-butyltetrazol-5-yl)-4-phenylbenzamide

N-(2-butyltetrazol-5-yl)-4-phenylbenzamide (PubChem CID 2219056) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-butyltetrazol-5-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(2-butyltetrazol-5-yl)-4-phenylbenzamide
PubChem CID2219056
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-(2-butyltetrazol-5-yl)-4-phenylbenzamide
SMILESCCCCn1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C18H19N5O/c1-2-3-13-23-21-18(20-22-23)19-17(24)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,2-3,13H2,1H3,(H,19,21,24)
InChIKeyBNALZWFZCXJAHQ-UHFFFAOYSA-N
XLogP3.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-butyltetrazol-5-yl)-4-phenylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-butyltetrazol-5-yl)-4-phenylbenzamide?
The IUPAC name of N-(2-butyltetrazol-5-yl)-4-phenylbenzamide (CID 2219056) is N-(2-butyltetrazol-5-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(2-butyltetrazol-5-yl)-4-phenylbenzamide?
The canonical SMILES for N-(2-butyltetrazol-5-yl)-4-phenylbenzamide is CCCCn1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of N-(2-butyltetrazol-5-yl)-4-phenylbenzamide?
The InChIKey is BNALZWFZCXJAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-3-13-23-21-18(20-22-23)19-17(24)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,2-3,13H2,1H3,(H,19,21,24).
What are the key properties of N-(2-butyltetrazol-5-yl)-4-phenylbenzamide?
N-(2-butyltetrazol-5-yl)-4-phenylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyltetrazol-5-yl)-4-phenylbenzamide is sourced from PubChem (CID 2219056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).