N,N-dibenzyl-3-(tetrazol-1-yl)benzamide

C22H19N5O — CID 51147950

IUPACN,N-dibenzyl-3-(tetrazol-1-yl)benzamide
SMILESO=C(c1cccc(-n2cnnn2)c1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H19N5O/c28-22(20-12-7-13-21(14-20)27-17-23-24-25-27)26(15-18-8-3-1-4-9-18)16-19-10-5-2-6-11-19/h1-14,17H,15-16H2
InChIKeyHDDHHOPLYHUNMI-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.50
Rot. Bonds6

About N,N-dibenzyl-3-(tetrazol-1-yl)benzamide

N,N-dibenzyl-3-(tetrazol-1-yl)benzamide (PubChem CID 51147950) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N,N-dibenzyl-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN,N-dibenzyl-3-(tetrazol-1-yl)benzamide
PubChem CID51147950
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN,N-dibenzyl-3-(tetrazol-1-yl)benzamide
SMILESO=C(c1cccc(-n2cnnn2)c1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H19N5O/c28-22(20-12-7-13-21(14-20)27-17-23-24-25-27)26(15-18-8-3-1-4-9-18)16-19-10-5-2-6-11-19/h1-14,17H,15-16H2
InChIKeyHDDHHOPLYHUNMI-UHFFFAOYSA-N
XLogP3.50
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31838484
N,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769206
N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide
CID 78785165
N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 43010400
N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide
CID 30881718
5-[benzyl-[(4-phenoxyphenyl)methyl]carbamoyl]-2-(tetrazol-1-yl)benzoic acid
CID 67768200
(2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705756
N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 42535237
N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
CID 39192608
N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51158739
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide
CID 26881046
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 39735328

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N,N-dibenzyl-3-(tetrazol-1-yl)benzamide (CID 51147950) is N,N-dibenzyl-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N,N-dibenzyl-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N,N-dibenzyl-3-(tetrazol-1-yl)benzamide is O=C(c1cccc(-n2cnnn2)c1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-3-(tetrazol-1-yl)benzamide?
The InChIKey is HDDHHOPLYHUNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c28-22(20-12-7-13-21(14-20)27-17-23-24-25-27)26(15-18-8-3-1-4-9-18)16-19-10-5-2-6-11-19/h1-14,17H,15-16H2.
What are the key properties of N,N-dibenzyl-3-(tetrazol-1-yl)benzamide?
N,N-dibenzyl-3-(tetrazol-1-yl)benzamide has a molecular weight of 369.43 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51147950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).