N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide

C23H20N6O4 — CID 26210844

IUPACN-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(-n3cnnn3)c2)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H20N6O4/c1-32-20-13-19(21(33-2)12-18(20)25-22(30)15-7-4-3-5-8-15)26-23(31)16-9-6-10-17(11-16)29-14-24-27-28-29/h3-14H,1-2H3,(H,25,30)(H,26,31)
InChIKeyHPTYZDSILSOMGC-UHFFFAOYSA-N
MW444.45 g/mol
LogP3.18
Rot. Bonds7

About N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide

N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 26210844) has the molecular formula C23H20N6O4 and a molecular weight of 444.45 g/mol. Its IUPAC name is N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
PubChem CID26210844
Molecular FormulaC23H20N6O4
Molecular Weight444.45 g/mol
Exact Mass444.15
IUPAC NameN-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(-n3cnnn3)c2)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H20N6O4/c1-32-20-13-19(21(33-2)12-18(20)25-22(30)15-7-4-3-5-8-15)26-23(31)16-9-6-10-17(11-16)29-14-24-27-28-29/h3-14H,1-2H3,(H,25,30)(H,26,31)
InChIKeyHPTYZDSILSOMGC-UHFFFAOYSA-N
XLogP3.18
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26209349
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-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 35362853
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-[2-chloro-5-(tetrazol-1-yl)phenyl]benzamide
CID 45492656
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-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide (CID 26210844) is N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide is COc1cc(NC(=O)c2cccc(-n3cnnn3)c2)c(OC)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is HPTYZDSILSOMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O4/c1-32-20-13-19(21(33-2)12-18(20)25-22(30)15-7-4-3-5-8-15)26-23(31)16-9-6-10-17(11-16)29-14-24-27-28-29/h3-14H,1-2H3,(H,25,30)(H,26,31).
What are the key properties of N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide?
N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 444.45 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 26210844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).