N-(3-bromophenyl)-2-(2H-tetrazol-5-yl)acetamide

C9H8BrN5O — CID 110499399

IUPACN-(3-bromophenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1cccc(Br)c1
InChIInChI=1S/C9H8BrN5O/c10-6-2-1-3-7(4-6)11-9(16)5-8-12-14-15-13-8/h1-4H,5H2,(H,11,16)(H,12,13,14,15)
InChIKeySVOCSYGYRRBJRS-UHFFFAOYSA-N
MW282.10 g/mol
LogP1.14
Rot. Bonds3

About N-(3-bromophenyl)-2-(2H-tetrazol-5-yl)acetamide

N-(3-bromophenyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110499399) has the molecular formula C9H8BrN5O and a molecular weight of 282.10 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110499399
Molecular FormulaC9H8BrN5O
Molecular Weight282.10 g/mol
Exact Mass280.99
IUPAC NameN-(3-bromophenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1cccc(Br)c1
InChIInChI=1S/C9H8BrN5O/c10-6-2-1-3-7(4-6)11-9(16)5-8-12-14-15-13-8/h1-4H,5H2,(H,11,16)(H,12,13,14,15)
InChIKeySVOCSYGYRRBJRS-UHFFFAOYSA-N
XLogP1.14
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N1-(2,4-difluorophenyl)-2-(2H-1,2,3,4-tetraazol-5-yl)acetamide
CID 2799349
2-(1H-tetrazol-5-yl)acetanilide
CID 12590729
N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]propanamide
CID 145954727
N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-2-methylpropanamide
CID 145971240
1H-Tetrazole-5-ethanamine, N-(4-bromophenyl)-
CID 3069789
N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 2799351
N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499400
N-(4-bromophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499451
N-(3-bromophenyl)-2-(4-fluorophenyl)-2H-tetrazole-5-carboxamide
CID 71791440
N-(4-bromo-2-fluorophenyl)-2H-tetrazole-5-carboxamide
CID 80360749
N-(2-bromo-4-fluorophenyl)-2H-tetrazole-5-carboxamide
CID 80361105
N-(5-bromo-2-fluorophenyl)-2H-tetrazole-5-carboxamide
CID 80361323

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2H-tetrazol-5-yl)acetamide (CID 110499399) is N-(3-bromophenyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2H-tetrazol-5-yl)acetamide is O=C(Cc1nn[nH]n1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is SVOCSYGYRRBJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN5O/c10-6-2-1-3-7(4-6)11-9(16)5-8-12-14-15-13-8/h1-4H,5H2,(H,11,16)(H,12,13,14,15).
What are the key properties of N-(3-bromophenyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(3-bromophenyl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 282.10 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110499399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).