N-(1-phenylcyclobutyl)-3-(tetrazol-1-yl)benzamide

C18H17N5O — CID 51273111

IUPACN-(1-phenylcyclobutyl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(NC1(c2ccccc2)CCC1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H17N5O/c24-17(14-6-4-9-16(12-14)23-13-19-21-22-23)20-18(10-5-11-18)15-7-2-1-3-8-15/h1-4,6-9,12-13H,5,10-11H2,(H,20,24)
InChIKeyWGVDWLFEBRBPKD-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.47
Rot. Bonds4

About N-(1-phenylcyclobutyl)-3-(tetrazol-1-yl)benzamide

N-(1-phenylcyclobutyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 51273111) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-(1-phenylcyclobutyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-phenylcyclobutyl)-3-(tetrazol-1-yl)benzamide
PubChem CID51273111
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-(1-phenylcyclobutyl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(NC1(c2ccccc2)CCC1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H17N5O/c24-17(14-6-4-9-16(12-14)23-13-19-21-22-23)20-18(10-5-11-18)15-7-2-1-3-8-15/h1-4,6-9,12-13H,5,10-11H2,(H,20,24)
InChIKeyWGVDWLFEBRBPKD-UHFFFAOYSA-N
XLogP2.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-3-(tetrazol-1-yl)benzamide
CID 95807011
N-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51317271
N-(1-phenylcyclopropyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 46966677
N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844
N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 42535237
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide
CID 3215286
3-methoxy-N-(1-phenylcyclobutyl)benzamide
CID 51273020
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
N-(dicyclopropylmethyl)-3-(tetrazol-1-yl)benzamide
CID 25492900
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide
CID 26881046
N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 33134269

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylcyclobutyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(1-phenylcyclobutyl)-3-(tetrazol-1-yl)benzamide (CID 51273111) is N-(1-phenylcyclobutyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(1-phenylcyclobutyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(1-phenylcyclobutyl)-3-(tetrazol-1-yl)benzamide is O=C(NC1(c2ccccc2)CCC1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(1-phenylcyclobutyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is WGVDWLFEBRBPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-17(14-6-4-9-16(12-14)23-13-19-21-22-23)20-18(10-5-11-18)15-7-2-1-3-8-15/h1-4,6-9,12-13H,5,10-11H2,(H,20,24).
What are the key properties of N-(1-phenylcyclobutyl)-3-(tetrazol-1-yl)benzamide?
N-(1-phenylcyclobutyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 319.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylcyclobutyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51273111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).