ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate

C17H14BrN5O3 — CID 29139681

IUPACethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1-n1cnnn1
InChIInChI=1S/C17H14BrN5O3/c1-2-26-17(25)12-5-3-4-6-14(12)20-16(24)13-9-11(18)7-8-15(13)23-10-19-21-22-23/h3-10H,2H2,1H3,(H,20,24)
InChIKeyNMAAXDRAWISNLU-UHFFFAOYSA-N
MW416.24 g/mol
LogP2.85
Rot. Bonds5

About ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate

ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate (PubChem CID 29139681) has the molecular formula C17H14BrN5O3 and a molecular weight of 416.24 g/mol. Its IUPAC name is ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate
PubChem CID29139681
Molecular FormulaC17H14BrN5O3
Molecular Weight416.24 g/mol
Exact Mass415.03
IUPAC Nameethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1-n1cnnn1
InChIInChI=1S/C17H14BrN5O3/c1-2-26-17(25)12-5-3-4-6-14(12)20-16(24)13-9-11(18)7-8-15(13)23-10-19-21-22-23/h3-10H,2H2,1H3,(H,20,24)
InChIKeyNMAAXDRAWISNLU-UHFFFAOYSA-N
XLogP2.85
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide
CID 29135709
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 29136943
ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 110428281
5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide
CID 42571607
ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 42582130
ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate
CID 41195072
[2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399359
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
2-ethoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 2579568
5-bromo-2-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 71708594
(2-bromophenyl)methyl 2-(tetrazol-1-yl)benzoate
CID 7399609
ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 42582252

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate (CID 29139681) is ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1-n1cnnn1.
What is the InChIKey of ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate?
The InChIKey is NMAAXDRAWISNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5O3/c1-2-26-17(25)12-5-3-4-6-14(12)20-16(24)13-9-11(18)7-8-15(13)23-10-19-21-22-23/h3-10H,2H2,1H3,(H,20,24).
What are the key properties of ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate?
ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate has a molecular weight of 416.24 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate is sourced from PubChem (CID 29139681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).