5-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide

C15H14BrN5O2 — CID 22579868

IUPAC5-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
SMILESCc1ccc(-n2nnnc2CNC(=O)c2ccc(Br)o2)cc1C
InChIInChI=1S/C15H14BrN5O2/c1-9-3-4-11(7-10(9)2)21-14(18-19-20-21)8-17-15(22)12-5-6-13(16)23-12/h3-7H,8H2,1-2H3,(H,17,22)
InChIKeyKUJCMSHKHVWIRG-UHFFFAOYSA-N
MW376.21 g/mol
LogP2.56
Rot. Bonds4

About 5-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide

5-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 22579868) has the molecular formula C15H14BrN5O2 and a molecular weight of 376.21 g/mol. Its IUPAC name is 5-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
PubChem CID22579868
Molecular FormulaC15H14BrN5O2
Molecular Weight376.21 g/mol
Exact Mass375.03
IUPAC Name5-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
SMILESCc1ccc(-n2nnnc2CNC(=O)c2ccc(Br)o2)cc1C
InChIInChI=1S/C15H14BrN5O2/c1-9-3-4-11(7-10(9)2)21-14(18-19-20-21)8-17-15(22)12-5-6-13(16)23-12/h3-7H,8H2,1-2H3,(H,17,22)
InChIKeyKUJCMSHKHVWIRG-UHFFFAOYSA-N
XLogP2.56
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide (CID 22579868) is 5-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide is Cc1ccc(-n2nnnc2CNC(=O)c2ccc(Br)o2)cc1C.
What is the InChIKey of 5-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is KUJCMSHKHVWIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O2/c1-9-3-4-11(7-10(9)2)21-14(18-19-20-21)8-17-15(22)12-5-6-13(16)23-12/h3-7H,8H2,1-2H3,(H,17,22).
What are the key properties of 5-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
5-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 376.21 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 22579868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).