3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide

C17H16BrN5O2 — CID 18565556

IUPAC3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide
SMILESCCOc1ccc(-n2nnnc2CNC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C17H16BrN5O2/c1-2-25-15-8-6-14(7-9-15)23-16(20-21-22-23)11-19-17(24)12-4-3-5-13(18)10-12/h3-10H,2,11H2,1H3,(H,19,24)
InChIKeyWRAHHRIUCLLDLA-UHFFFAOYSA-N
MW402.25 g/mol
LogP2.75
Rot. Bonds6

About 3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide

3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide (PubChem CID 18565556) has the molecular formula C17H16BrN5O2 and a molecular weight of 402.25 g/mol. Its IUPAC name is 3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide
PubChem CID18565556
Molecular FormulaC17H16BrN5O2
Molecular Weight402.25 g/mol
Exact Mass401.05
IUPAC Name3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide
SMILESCCOc1ccc(-n2nnnc2CNC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C17H16BrN5O2/c1-2-25-15-8-6-14(7-9-15)23-16(20-21-22-23)11-19-17(24)12-4-3-5-13(18)10-12/h3-10H,2,11H2,1H3,(H,19,24)
InChIKeyWRAHHRIUCLLDLA-UHFFFAOYSA-N
XLogP2.75
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide
CID 18565554
N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 16799188
N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 55109238
4-(1,3-dioxoisoindol-2-yl)-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]butanamide
CID 18565603
N-[[4-(4-bromophenyl)-5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide
CID 44910809
(3S)-1-(4-ethoxyphenyl)-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 41128963
ethyl 2-[[4-(4-ethoxyphenyl)-5-[[(3-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 2159391
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide
CID 30295335
5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 16799284
3-bromo-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 41241203
3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
CID 7925302
[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 119106406

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide?
The IUPAC name of 3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide (CID 18565556) is 3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide?
The canonical SMILES for 3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide is CCOc1ccc(-n2nnnc2CNC(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide?
The InChIKey is WRAHHRIUCLLDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O2/c1-2-25-15-8-6-14(7-9-15)23-16(20-21-22-23)11-19-17(24)12-4-3-5-13(18)10-12/h3-10H,2,11H2,1H3,(H,19,24).
What are the key properties of 3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide?
3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide has a molecular weight of 402.25 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide is sourced from PubChem (CID 18565556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).