methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate

C16H13N5O3 — CID 862155

IUPACmethyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C16H13N5O3/c1-24-16(23)11-5-7-13(8-6-11)18-15(22)12-3-2-4-14(9-12)21-10-17-19-20-21/h2-10H,1H3,(H,18,22)
InChIKeyCPRXEUIIJNVKRA-UHFFFAOYSA-N
MW323.31 g/mol
LogP1.70
Rot. Bonds4

About methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate

methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate (PubChem CID 862155) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
PubChem CID862155
Molecular FormulaC16H13N5O3
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC Namemethyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C16H13N5O3/c1-24-16(23)11-5-7-13(8-6-11)18-15(22)12-3-2-4-14(9-12)21-10-17-19-20-21/h2-10H,1H3,(H,18,22)
InChIKeyCPRXEUIIJNVKRA-UHFFFAOYSA-N
XLogP1.70
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-chloro-5-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 34160272
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 1140637
N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536
N-(4-bromo-3-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26363553
3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 18158615
N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122302044
N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844
3-amino-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 61117464
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(tetrazol-1-yl)benzamide
CID 55930735
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate?
The IUPAC name of methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate (CID 862155) is methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate?
The InChIKey is CPRXEUIIJNVKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3/c1-24-16(23)11-5-7-13(8-6-11)18-15(22)12-3-2-4-14(9-12)21-10-17-19-20-21/h2-10H,1H3,(H,18,22).
What are the key properties of methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate?
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate has a molecular weight of 323.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate is sourced from PubChem (CID 862155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).