2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide

C18H18BrN5O2 — CID 46624217

IUPAC2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)n1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C18H18BrN5O2/c1-3-26-16-7-5-4-6-15(16)20-18(25)12(2)24-22-17(21-23-24)13-8-10-14(19)11-9-13/h4-12H,3H2,1-2H3,(H,20,25)
InChIKeyIAFGJDAOAONEFP-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.70
Rot. Bonds6

About 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide

2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide (PubChem CID 46624217) has the molecular formula C18H18BrN5O2 and a molecular weight of 416.28 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide
PubChem CID46624217
Molecular FormulaC18H18BrN5O2
Molecular Weight416.28 g/mol
Exact Mass415.06
IUPAC Name2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)n1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C18H18BrN5O2/c1-3-26-16-7-5-4-6-15(16)20-18(25)12(2)24-22-17(21-23-24)13-8-10-14(19)11-9-13/h4-12H,3H2,1-2H3,(H,20,25)
InChIKeyIAFGJDAOAONEFP-UHFFFAOYSA-N
XLogP3.70
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 46624222
(2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide
CID 9355658
(2S)-2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-ethoxyphenyl)propanamide
CID 40840671
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 42986987
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46647379
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)propanamide
CID 112773571
(2R)-2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 51925561
(2S)-N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide
CID 9353587
(2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 97059058
2-(4-bromoanilino)-N-(2-ethoxyphenyl)acetamide
CID 7535577
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide (CID 46624217) is 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)C(C)n1nnc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is IAFGJDAOAONEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN5O2/c1-3-26-16-7-5-4-6-15(16)20-18(25)12(2)24-22-17(21-23-24)13-8-10-14(19)11-9-13/h4-12H,3H2,1-2H3,(H,20,25).
What are the key properties of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide?
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide has a molecular weight of 416.28 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 46624217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).