2-[4-(dimethylcarbamoyl)phenyl]-6-(2H-tetrazol-5-yl)benzamide

C17H16N6O2 — CID 173223106

IUPAC2-[4-(dimethylcarbamoyl)phenyl]-6-(2H-tetrazol-5-yl)benzamide
SMILESCN(C)C(=O)c1ccc(-c2cccc(-c3nn[nH]n3)c2C(N)=O)cc1
InChIInChI=1S/C17H16N6O2/c1-23(2)17(25)11-8-6-10(7-9-11)12-4-3-5-13(14(12)15(18)24)16-19-21-22-20-16/h3-9H,1-2H3,(H2,18,24)(H,19,20,21,22)
InChIKeyBUPOBLFNPUZNSS-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.33
Rot. Bonds4

About 2-[4-(dimethylcarbamoyl)phenyl]-6-(2H-tetrazol-5-yl)benzamide

2-[4-(dimethylcarbamoyl)phenyl]-6-(2H-tetrazol-5-yl)benzamide (PubChem CID 173223106) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoyl)phenyl]-6-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-[4-(dimethylcarbamoyl)phenyl]-6-(2H-tetrazol-5-yl)benzamide
PubChem CID173223106
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name2-[4-(dimethylcarbamoyl)phenyl]-6-(2H-tetrazol-5-yl)benzamide
SMILESCN(C)C(=O)c1ccc(-c2cccc(-c3nn[nH]n3)c2C(N)=O)cc1
InChIInChI=1S/C17H16N6O2/c1-23(2)17(25)11-8-6-10(7-9-11)12-4-3-5-13(14(12)15(18)24)16-19-21-22-20-16/h3-9H,1-2H3,(H2,18,24)(H,19,20,21,22)
InChIKeyBUPOBLFNPUZNSS-UHFFFAOYSA-N
XLogP1.33
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-amino-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
CID 68883605
4-[4-[(4-methoxyphenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
CID 11853644
2,6-bis(4-methylphenyl)benzamide
CID 11301076
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 79384598
4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
CID 11619480
(4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 19791942
3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbamoyl]benzoic acid
CID 54108331
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
1,3-dibutyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]urea
CID 68516464
4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
CID 138743833
2-(2H-tetrazol-5-yl)benzoic acid
CID 555192
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylcarbamoyl)phenyl]-6-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 2-[4-(dimethylcarbamoyl)phenyl]-6-(2H-tetrazol-5-yl)benzamide (CID 173223106) is 2-[4-(dimethylcarbamoyl)phenyl]-6-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 2-[4-(dimethylcarbamoyl)phenyl]-6-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 2-[4-(dimethylcarbamoyl)phenyl]-6-(2H-tetrazol-5-yl)benzamide is CN(C)C(=O)c1ccc(-c2cccc(-c3nn[nH]n3)c2C(N)=O)cc1.
What is the InChIKey of 2-[4-(dimethylcarbamoyl)phenyl]-6-(2H-tetrazol-5-yl)benzamide?
The InChIKey is BUPOBLFNPUZNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-23(2)17(25)11-8-6-10(7-9-11)12-4-3-5-13(14(12)15(18)24)16-19-21-22-20-16/h3-9H,1-2H3,(H2,18,24)(H,19,20,21,22).
What are the key properties of 2-[4-(dimethylcarbamoyl)phenyl]-6-(2H-tetrazol-5-yl)benzamide?
2-[4-(dimethylcarbamoyl)phenyl]-6-(2H-tetrazol-5-yl)benzamide has a molecular weight of 336.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylcarbamoyl)phenyl]-6-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 173223106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).