5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide

C12H14BrN5O2 — CID 892036

IUPAC5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnnc1NC(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C12H14BrN5O2/c1-3-6-18-12(15-16-17-18)14-11(19)9-7-8(13)4-5-10(9)20-2/h4-5,7H,3,6H2,1-2H3,(H,14,15,17,19)
InChIKeyMZUOLYFPUMUKLU-UHFFFAOYSA-N
MW340.18 g/mol
LogP2.11
Rot. Bonds5

About 5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide

5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide (PubChem CID 892036) has the molecular formula C12H14BrN5O2 and a molecular weight of 340.18 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide
PubChem CID892036
Molecular FormulaC12H14BrN5O2
Molecular Weight340.18 g/mol
Exact Mass339.03
IUPAC Name5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnnc1NC(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C12H14BrN5O2/c1-3-6-18-12(15-16-17-18)14-11(19)9-7-8(13)4-5-10(9)20-2/h4-5,7H,3,6H2,1-2H3,(H,14,15,17,19)
InChIKeyMZUOLYFPUMUKLU-UHFFFAOYSA-N
XLogP2.11
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-methoxy-N-(1-propyltetrazol-5-yl)benzamide
CID 960223
5-bromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide
CID 3996264
2-bromo-5-nitro-N-(1-propyltetrazol-5-yl)benzamide
CID 4500460
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639
ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 110428281
5-bromo-N-heptyl-2-methoxybenzamide
CID 17094234
5-bromo-2-methoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776873
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371
3-(3,5-dibromo-2-methoxyphenyl)-N-[(1-propyltetrazol-5-yl)carbamothioyl]prop-2-enamide
CID 4501921
5-bromo-2-methoxy-N'-methylbenzohydrazide
CID 116846857
2-(4-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
CID 960277
2-chloro-N-[(1-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 960258

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide (CID 892036) is 5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide is CCCn1nnnc1NC(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide?
The InChIKey is MZUOLYFPUMUKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2/c1-3-6-18-12(15-16-17-18)14-11(19)9-7-8(13)4-5-10(9)20-2/h4-5,7H,3,6H2,1-2H3,(H,14,15,17,19).
What are the key properties of 5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide?
5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide has a molecular weight of 340.18 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 892036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).