5-bromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide

C13H16BrN5O2 — CID 3996264

IUPAC5-bromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide
SMILESCCCCn1nnc(NC(=O)c2cc(Br)ccc2OC)n1
InChIInChI=1S/C13H16BrN5O2/c1-3-4-7-19-17-13(16-18-19)15-12(20)10-8-9(14)5-6-11(10)21-2/h5-6,8H,3-4,7H2,1-2H3,(H,15,17,20)
InChIKeyJKEJRUVUZQWODL-UHFFFAOYSA-N
MW354.21 g/mol
LogP2.50
Rot. Bonds6

About 5-bromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide

5-bromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide (PubChem CID 3996264) has the molecular formula C13H16BrN5O2 and a molecular weight of 354.21 g/mol. Its IUPAC name is 5-bromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide
PubChem CID3996264
Molecular FormulaC13H16BrN5O2
Molecular Weight354.21 g/mol
Exact Mass353.05
IUPAC Name5-bromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide
SMILESCCCCn1nnc(NC(=O)c2cc(Br)ccc2OC)n1
InChIInChI=1S/C13H16BrN5O2/c1-3-4-7-19-17-13(16-18-19)15-12(20)10-8-9(14)5-6-11(10)21-2/h5-6,8H,3-4,7H2,1-2H3,(H,15,17,20)
InChIKeyJKEJRUVUZQWODL-UHFFFAOYSA-N
XLogP2.50
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-butyltetrazol-5-yl)carbamothioyl]-2-methoxybenzamide
CID 4203974
5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide
CID 892036
2-(4-bromophenoxy)-N-(2-butyltetrazol-5-yl)-2-methylpropanamide
CID 30309531
5-bromo-N-heptyl-2-methoxybenzamide
CID 17094234
5-bromo-2-methoxy-N'-methylbenzohydrazide
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5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 21215255
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639
3,5-dibromo-2-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177288
ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 110428281
5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17196839
N-(2-butyltetrazol-5-yl)-4-methyl-3-nitrobenzamide
CID 3354982

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide (CID 3996264) is 5-bromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide is CCCCn1nnc(NC(=O)c2cc(Br)ccc2OC)n1.
What is the InChIKey of 5-bromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide?
The InChIKey is JKEJRUVUZQWODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5O2/c1-3-4-7-19-17-13(16-18-19)15-12(20)10-8-9(14)5-6-11(10)21-2/h5-6,8H,3-4,7H2,1-2H3,(H,15,17,20).
What are the key properties of 5-bromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide?
5-bromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide has a molecular weight of 354.21 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide is sourced from PubChem (CID 3996264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).