N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide

C17H17N5O3 — CID 26209349

IUPACN-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCOc1cc(C)c(NC(=O)c2cccc(-n3cnnn3)c2)cc1OC
InChIInChI=1S/C17H17N5O3/c1-11-7-15(24-2)16(25-3)9-14(11)19-17(23)12-5-4-6-13(8-12)22-10-18-20-21-22/h4-10H,1-3H3,(H,19,23)
InChIKeyCVJTVEDXVUZXLS-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.24
Rot. Bonds5

About N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide

N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 26209349) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide
PubChem CID26209349
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCOc1cc(C)c(NC(=O)c2cccc(-n3cnnn3)c2)cc1OC
InChIInChI=1S/C17H17N5O3/c1-11-7-15(24-2)16(25-3)9-14(11)19-17(23)12-5-4-6-13(8-12)22-10-18-20-21-22/h4-10H,1-3H3,(H,19,23)
InChIKeyCVJTVEDXVUZXLS-UHFFFAOYSA-N
XLogP2.24
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 18081318
N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 862139
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 35362853
4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 31504000
N-(4-bromo-3-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26363553
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide
CID 16648846
3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709495

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide (CID 26209349) is N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide is COc1cc(C)c(NC(=O)c2cccc(-n3cnnn3)c2)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is CVJTVEDXVUZXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-11-7-15(24-2)16(25-3)9-14(11)19-17(23)12-5-4-6-13(8-12)22-10-18-20-21-22/h4-10H,1-3H3,(H,19,23).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide?
N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 339.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 26209349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).