4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide

C16H14BrN5O3 — CID 26705752

IUPAC4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc(OC)c1Br
InChIInChI=1S/C16H14BrN5O3/c1-24-13-7-10(8-14(25-2)15(13)17)16(23)19-11-3-5-12(6-4-11)22-9-18-20-21-22/h3-9H,1-2H3,(H,19,23)
InChIKeyAJXCBIZFCDDOME-UHFFFAOYSA-N
MW404.22 g/mol
LogP2.69
Rot. Bonds5

About 4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide

4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 26705752) has the molecular formula C16H14BrN5O3 and a molecular weight of 404.22 g/mol. Its IUPAC name is 4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
PubChem CID26705752
Molecular FormulaC16H14BrN5O3
Molecular Weight404.22 g/mol
Exact Mass403.03
IUPAC Name4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc(OC)c1Br
InChIInChI=1S/C16H14BrN5O3/c1-24-13-7-10(8-14(25-2)15(13)17)16(23)19-11-3-5-12(6-4-11)22-9-18-20-21-22/h3-9H,1-2H3,(H,19,23)
InChIKeyAJXCBIZFCDDOME-UHFFFAOYSA-N
XLogP2.69
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125
3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 8004402
4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729178
methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 1140637
3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776858
N-[4-(tetrazol-1-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930070
methyl 3-nitro-5-[[4-(tetrazol-1-yl)phenyl]carbamoyl]benzoate
CID 26729292
2-fluoro-N-[4-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 61295474
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide
CID 30702128
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 40622208

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide (CID 26705752) is 4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide is COc1cc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is AJXCBIZFCDDOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O3/c1-24-13-7-10(8-14(25-2)15(13)17)16(23)19-11-3-5-12(6-4-11)22-9-18-20-21-22/h3-9H,1-2H3,(H,19,23).
What are the key properties of 4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide?
4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 404.22 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 26705752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).