N-[1-(3-bromophenyl)cyclobutyl]-2-(tetrazol-1-yl)acetamide

C13H14BrN5O — CID 51090736

IUPACN-[1-(3-bromophenyl)cyclobutyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C13H14BrN5O/c14-11-4-1-3-10(7-11)13(5-2-6-13)16-12(20)8-19-9-15-17-18-19/h1,3-4,7,9H,2,5-6,8H2,(H,16,20)
InChIKeyCOKQDZCMMNFZEM-UHFFFAOYSA-N
MW336.19 g/mol
LogP1.63
Rot. Bonds4

About N-[1-(3-bromophenyl)cyclobutyl]-2-(tetrazol-1-yl)acetamide

N-[1-(3-bromophenyl)cyclobutyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 51090736) has the molecular formula C13H14BrN5O and a molecular weight of 336.19 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)cyclobutyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)cyclobutyl]-2-(tetrazol-1-yl)acetamide
PubChem CID51090736
Molecular FormulaC13H14BrN5O
Molecular Weight336.19 g/mol
Exact Mass335.04
IUPAC NameN-[1-(3-bromophenyl)cyclobutyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C13H14BrN5O/c14-11-4-1-3-10(7-11)13(5-2-6-13)16-12(20)8-19-9-15-17-18-19/h1,3-4,7,9H,2,5-6,8H2,(H,16,20)
InChIKeyCOKQDZCMMNFZEM-UHFFFAOYSA-N
XLogP1.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)cyclobutyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[1-(3-bromophenyl)cyclobutyl]-2-(tetrazol-1-yl)acetamide (CID 51090736) is N-[1-(3-bromophenyl)cyclobutyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)cyclobutyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(3-bromophenyl)cyclobutyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NC1(c2cccc(Br)c2)CCC1.
What is the InChIKey of N-[1-(3-bromophenyl)cyclobutyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is COKQDZCMMNFZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5O/c14-11-4-1-3-10(7-11)13(5-2-6-13)16-12(20)8-19-9-15-17-18-19/h1,3-4,7,9H,2,5-6,8H2,(H,16,20).
What are the key properties of N-[1-(3-bromophenyl)cyclobutyl]-2-(tetrazol-1-yl)acetamide?
N-[1-(3-bromophenyl)cyclobutyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 336.19 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)cyclobutyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 51090736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).