(2-bromophenyl)methyl 2-(tetrazol-1-yl)benzoate

C15H11BrN4O2 — CID 7399609

IUPAC(2-bromophenyl)methyl 2-(tetrazol-1-yl)benzoate
SMILESO=C(OCc1ccccc1Br)c1ccccc1-n1cnnn1
InChIInChI=1S/C15H11BrN4O2/c16-13-7-3-1-5-11(13)9-22-15(21)12-6-2-4-8-14(12)20-10-17-18-19-20/h1-8,10H,9H2
InChIKeyXDQNLKIIXCCDQC-UHFFFAOYSA-N
MW359.18 g/mol
LogP2.78
Rot. Bonds4

About (2-bromophenyl)methyl 2-(tetrazol-1-yl)benzoate

(2-bromophenyl)methyl 2-(tetrazol-1-yl)benzoate (PubChem CID 7399609) has the molecular formula C15H11BrN4O2 and a molecular weight of 359.18 g/mol. Its IUPAC name is (2-bromophenyl)methyl 2-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name(2-bromophenyl)methyl 2-(tetrazol-1-yl)benzoate
PubChem CID7399609
Molecular FormulaC15H11BrN4O2
Molecular Weight359.18 g/mol
Exact Mass358.01
IUPAC Name(2-bromophenyl)methyl 2-(tetrazol-1-yl)benzoate
SMILESO=C(OCc1ccccc1Br)c1ccccc1-n1cnnn1
InChIInChI=1S/C15H11BrN4O2/c16-13-7-3-1-5-11(13)9-22-15(21)12-6-2-4-8-14(12)20-10-17-18-19-20/h1-8,10H,9H2
InChIKeyXDQNLKIIXCCDQC-UHFFFAOYSA-N
XLogP2.78
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[[2-(tetrazol-1-yl)benzoyl]oxymethyl]furan-2-carboxylate
CID 7399392
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(tetrazol-1-yl)benzoate
CID 41238451
[2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399359
(3-bromo-2-fluorophenyl)methyl 4-(tetrazol-1-yl)benzoate
CID 146023925
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
CID 110931289
ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 29139681
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399330
(2-bromophenyl)methyl 2-benzylbenzoate
CID 7809558
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399621
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399528
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(tetrazol-1-yl)benzoate
CID 7261394
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(tetrazol-1-yl)benzoate
CID 7399399

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl 2-(tetrazol-1-yl)benzoate?
The IUPAC name of (2-bromophenyl)methyl 2-(tetrazol-1-yl)benzoate (CID 7399609) is (2-bromophenyl)methyl 2-(tetrazol-1-yl)benzoate.
What is the SMILES notation for (2-bromophenyl)methyl 2-(tetrazol-1-yl)benzoate?
The canonical SMILES for (2-bromophenyl)methyl 2-(tetrazol-1-yl)benzoate is O=C(OCc1ccccc1Br)c1ccccc1-n1cnnn1.
What is the InChIKey of (2-bromophenyl)methyl 2-(tetrazol-1-yl)benzoate?
The InChIKey is XDQNLKIIXCCDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O2/c16-13-7-3-1-5-11(13)9-22-15(21)12-6-2-4-8-14(12)20-10-17-18-19-20/h1-8,10H,9H2.
What are the key properties of (2-bromophenyl)methyl 2-(tetrazol-1-yl)benzoate?
(2-bromophenyl)methyl 2-(tetrazol-1-yl)benzoate has a molecular weight of 359.18 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl 2-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 7399609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).