N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]cyclopentanecarboxamide

C13H14BrN5O — CID 126830344

IUPACN-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(Br)cc1-c1nn[nH]n1)C1CCCC1
InChIInChI=1S/C13H14BrN5O/c14-9-5-6-11(10(7-9)12-16-18-19-17-12)15-13(20)8-3-1-2-4-8/h5-8H,1-4H2,(H,15,20)(H,16,17,18,19)
InChIKeyBPDJMOLJSHYYIS-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.76
Rot. Bonds3

About N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]cyclopentanecarboxamide

N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]cyclopentanecarboxamide (PubChem CID 126830344) has the molecular formula C13H14BrN5O and a molecular weight of 336.19 g/mol. Its IUPAC name is N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]cyclopentanecarboxamide
PubChem CID126830344
Molecular FormulaC13H14BrN5O
Molecular Weight336.19 g/mol
Exact Mass335.04
IUPAC NameN-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(Br)cc1-c1nn[nH]n1)C1CCCC1
InChIInChI=1S/C13H14BrN5O/c14-9-5-6-11(10(7-9)12-16-18-19-17-12)15-13(20)8-3-1-2-4-8/h5-8H,1-4H2,(H,15,20)(H,16,17,18,19)
InChIKeyBPDJMOLJSHYYIS-UHFFFAOYSA-N
XLogP2.76
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]cyclopentanecarboxamide (CID 126830344) is N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]cyclopentanecarboxamide is O=C(Nc1ccc(Br)cc1-c1nn[nH]n1)C1CCCC1.
What is the InChIKey of N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]cyclopentanecarboxamide?
The InChIKey is BPDJMOLJSHYYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5O/c14-9-5-6-11(10(7-9)12-16-18-19-17-12)15-13(20)8-3-1-2-4-8/h5-8H,1-4H2,(H,15,20)(H,16,17,18,19).
What are the key properties of N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]cyclopentanecarboxamide?
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]cyclopentanecarboxamide has a molecular weight of 336.19 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 126830344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).