2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide

C15H12BrN5O — CID 17422742

IUPAC2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C15H12BrN5O/c1-21-14(18-19-20-21)10-5-4-6-11(9-10)17-15(22)12-7-2-3-8-13(12)16/h2-9H,1H3,(H,17,22)
InChIKeyXWUZCOVTLOBPGS-UHFFFAOYSA-N
MW358.20 g/mol
LogP2.89
Rot. Bonds3

About 2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide

2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide (PubChem CID 17422742) has the molecular formula C15H12BrN5O and a molecular weight of 358.20 g/mol. Its IUPAC name is 2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
PubChem CID17422742
Molecular FormulaC15H12BrN5O
Molecular Weight358.20 g/mol
Exact Mass357.02
IUPAC Name2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C15H12BrN5O/c1-21-14(18-19-20-21)10-5-4-6-11(9-10)17-15(22)12-7-2-3-8-13(12)16/h2-9H,1H3,(H,17,22)
InChIKeyXWUZCOVTLOBPGS-UHFFFAOYSA-N
XLogP2.89
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 41360742
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 36809766
N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733195
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
4-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-sulfamoylbenzamide
CID 41357033
4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688500
2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788208
3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808067
5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 51304309

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide (CID 17422742) is 2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide is Cn1nnnc1-c1cccc(NC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide?
The InChIKey is XWUZCOVTLOBPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5O/c1-21-14(18-19-20-21)10-5-4-6-11(9-10)17-15(22)12-7-2-3-8-13(12)16/h2-9H,1H3,(H,17,22).
What are the key properties of 2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide?
2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide has a molecular weight of 358.20 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 17422742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).