3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide

C14H17BrN4O — CID 121018999

IUPAC3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
SMILESCC(C)C(Cn1nccn1)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H17BrN4O/c1-10(2)13(9-19-16-6-7-17-19)18-14(20)11-4-3-5-12(15)8-11/h3-8,10,13H,9H2,1-2H3,(H,18,20)
InChIKeyYZYMYJCRLCBAJU-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.50
Rot. Bonds5

About 3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide

3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide (PubChem CID 121018999) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
PubChem CID121018999
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
SMILESCC(C)C(Cn1nccn1)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H17BrN4O/c1-10(2)13(9-19-16-6-7-17-19)18-14(20)11-4-3-5-12(15)8-11/h3-8,10,13H,9H2,1-2H3,(H,18,20)
InChIKeyYZYMYJCRLCBAJU-UHFFFAOYSA-N
XLogP2.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176822
5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide
CID 121018993
3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 119101658
4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176647
5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide
CID 129416601
3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide
CID 3434311
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-methoxy-2-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]indazole-6-carboxamide
CID 121176734
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide
CID 129417735
N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 129417786
1-[3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylurea
CID 121176898

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
The IUPAC name of 3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide (CID 121018999) is 3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
The canonical SMILES for 3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide is CC(C)C(Cn1nccn1)NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
The InChIKey is YZYMYJCRLCBAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-10(2)13(9-19-16-6-7-17-19)18-14(20)11-4-3-5-12(15)8-11/h3-8,10,13H,9H2,1-2H3,(H,18,20).
What are the key properties of 3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide has a molecular weight of 337.22 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide is sourced from PubChem (CID 121018999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).