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

C12H13Br2N5O3 — CID 14873724

IUPAC3,5-dibromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCOc1c(Br)cc(C(=O)Nc2nn[nH]n2)c(OC(C)C)c1Br
InChIInChI=1S/C12H13Br2N5O3/c1-5(2)22-9-6(4-7(13)10(21-3)8(9)14)11(20)15-12-16-18-19-17-12/h4-5H,1-3H3,(H2,15,16,17,18,19,20)
InChIKeyKBCNTWJJZLPXTF-UHFFFAOYSA-N
MW435.08 g/mol
LogP2.77
Rot. Bonds5

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

3,5-dibromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 14873724) has the molecular formula C12H13Br2N5O3 and a molecular weight of 435.08 g/mol. Its IUPAC name is 3,5-dibromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
PubChem CID14873724
Molecular FormulaC12H13Br2N5O3
Molecular Weight435.08 g/mol
Exact Mass432.94
IUPAC Name3,5-dibromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCOc1c(Br)cc(C(=O)Nc2nn[nH]n2)c(OC(C)C)c1Br
InChIInChI=1S/C12H13Br2N5O3/c1-5(2)22-9-6(4-7(13)10(21-3)8(9)14)11(20)15-12-16-18-19-17-12/h4-5H,1-3H3,(H2,15,16,17,18,19,20)
InChIKeyKBCNTWJJZLPXTF-UHFFFAOYSA-N
XLogP2.77
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.08
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 663030
3-iodo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
CID 14276518
3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
CID 14276516
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
2,4-dimethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 896935
4-methoxy-2-phenylmethoxy-N-(2H-tetrazol-5-yl)benzamide
CID 13026911
5-bromo-2-methoxy-N-(2H-tetrazol-5-yl)benzamide
CID 13373933
5-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
CID 14276519
3,5-dibromo-2-methoxy-N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 1964719
3,5-dibromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide
CID 5141692
3,5-dibromo-N-(2-ethyltetrazol-5-yl)-2-methoxybenzamide
CID 40607475

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 3,5-dibromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide (CID 14873724) is 3,5-dibromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 3,5-dibromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 3,5-dibromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide is COc1c(Br)cc(C(=O)Nc2nn[nH]n2)c(OC(C)C)c1Br.
What is the InChIKey of 3,5-dibromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is KBCNTWJJZLPXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N5O3/c1-5(2)22-9-6(4-7(13)10(21-3)8(9)14)11(20)15-12-16-18-19-17-12/h4-5H,1-3H3,(H2,15,16,17,18,19,20).
What are the key properties of 3,5-dibromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide?
3,5-dibromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 435.08 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 14873724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).