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

C13H8BrF2N5O2 — CID 27545895

IUPAC5-bromo-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccc(Br)o1
InChIInChI=1S/C13H8BrF2N5O2/c14-11-4-3-10(23-11)13(22)17-6-12-18-19-20-21(12)7-1-2-8(15)9(16)5-7/h1-5H,6H2,(H,17,22)
InChIKeySMMJCJUTGOYQGZ-UHFFFAOYSA-N
MW384.14 g/mol
LogP2.23
Rot. Bonds4

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

5-bromo-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 27545895) has the molecular formula C13H8BrF2N5O2 and a molecular weight of 384.14 g/mol. Its IUPAC name is 5-bromo-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
PubChem CID27545895
Molecular FormulaC13H8BrF2N5O2
Molecular Weight384.14 g/mol
Exact Mass382.98
IUPAC Name5-bromo-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccc(Br)o1
InChIInChI=1S/C13H8BrF2N5O2/c14-11-4-3-10(23-11)13(22)17-6-12-18-19-20-21(12)7-1-2-8(15)9(16)5-7/h1-5H,6H2,(H,17,22)
InChIKeySMMJCJUTGOYQGZ-UHFFFAOYSA-N
XLogP2.23
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.14
LogP ≤ 52.23
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-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide (CID 27545895) is 5-bromo-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide is O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is SMMJCJUTGOYQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2N5O2/c14-11-4-3-10(23-11)13(22)17-6-12-18-19-20-21(12)7-1-2-8(15)9(16)5-7/h1-5H,6H2,(H,17,22).
What are the key properties of 5-bromo-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
5-bromo-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 384.14 g/mol, XLogP of 2.23, 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-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 27545895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).