5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide

C12H15BrN4O2 — CID 129416601

IUPAC5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](Cn1nccn1)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C12H15BrN4O2/c1-8(2)9(7-17-14-5-6-15-17)16-12(18)10-3-4-11(13)19-10/h3-6,8-9H,7H2,1-2H3,(H,16,18)/t9-/m0/s1
InChIKeyFFTDKKXFZWIMTK-VIFPVBQESA-N
MW327.18 g/mol
LogP2.09
Rot. Bonds5

About 5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide

5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide (PubChem CID 129416601) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide
PubChem CID129416601
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC Name5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](Cn1nccn1)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C12H15BrN4O2/c1-8(2)9(7-17-14-5-6-15-17)16-12(18)10-3-4-11(13)19-10/h3-6,8-9H,7H2,1-2H3,(H,16,18)/t9-/m0/s1
InChIKeyFFTDKKXFZWIMTK-VIFPVBQESA-N
XLogP2.09
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-2-carboxamide
CID 114316037
5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide
CID 103750870
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide
CID 129417735
3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121018999
5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
CID 38608481
5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide
CID 121018993
4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176696
2,4,6-trimethyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176641
methyl 2-[[3-methyl-1-(triazol-2-yl)butan-2-yl]carbamoyl]benzoate
CID 121176789
3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176822
4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 119101685
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide (CID 129416601) is 5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide is CC(C)[C@H](Cn1nccn1)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide?
The InChIKey is FFTDKKXFZWIMTK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15BrN4O2/c1-8(2)9(7-17-14-5-6-15-17)16-12(18)10-3-4-11(13)19-10/h3-6,8-9H,7H2,1-2H3,(H,16,18)/t9-/m0/s1.
What are the key properties of 5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide?
5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide has a molecular weight of 327.18 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 129416601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).