3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide

C12H14BrN5O3 — CID 14276516

IUPAC3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nn[nH]n2)c(OC(C)C)c1Br
InChIInChI=1S/C12H14BrN5O3/c1-6(2)21-10-7(4-5-8(20-3)9(10)13)11(19)14-12-15-17-18-16-12/h4-6H,1-3H3,(H2,14,15,16,17,18,19)
InChIKeyCCFZWTZTHGGFAB-UHFFFAOYSA-N
MW356.18 g/mol
LogP2.01
Rot. Bonds5

About 3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide

3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 14276516) has the molecular formula C12H14BrN5O3 and a molecular weight of 356.18 g/mol. Its IUPAC name is 3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
PubChem CID14276516
Molecular FormulaC12H14BrN5O3
Molecular Weight356.18 g/mol
Exact Mass355.03
IUPAC Name3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nn[nH]n2)c(OC(C)C)c1Br
InChIInChI=1S/C12H14BrN5O3/c1-6(2)21-10-7(4-5-8(20-3)9(10)13)11(19)14-12-15-17-18-16-12/h4-6H,1-3H3,(H2,14,15,16,17,18,19)
InChIKeyCCFZWTZTHGGFAB-UHFFFAOYSA-N
XLogP2.01
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-iodo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
CID 14276518
4-methoxy-2-(1-methylethoxy)-N-1H-tetrazol-5-ylbenzamide
CID 14276517
4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)-3-trimethylsilylbenzamide
CID 14873723
3,5-dibromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
CID 14873724
2,6-dimethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 879615
2,4-dimethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 896935
3-bromo-4-ethoxy-N-(2-ethyl-2H-tetrazol-5-yl)benzamide
CID 953042
3-bromo-4-ethoxy-N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 953439
3-bromo-4-ethoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 1314423
N-(2-allyl-2H-tetrazol-5-yl)-3-bromo-4-ethoxybenzamide
CID 17177279
2-hydroxy-4-methoxy-N-(2H-tetrazol-5-yl)benzamide
CID 12962785
2,4-bis(phenylmethoxy)-N-(2H-tetrazol-5-yl)benzamide
CID 13026907

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide (CID 14276516) is 3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide is COc1ccc(C(=O)Nc2nn[nH]n2)c(OC(C)C)c1Br.
What is the InChIKey of 3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is CCFZWTZTHGGFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O3/c1-6(2)21-10-7(4-5-8(20-3)9(10)13)11(19)14-12-15-17-18-16-12/h4-6H,1-3H3,(H2,14,15,16,17,18,19).
What are the key properties of 3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide?
3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 356.18 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 14276516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).