3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

C12H12BrFN4O — CID 138026371

IUPAC3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCc1c(Br)cc(F)cc1C(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C12H12BrFN4O/c1-6-9(3-8(14)4-10(6)13)12(19)17-7(2)11-15-5-16-18-11/h3-5,7H,1-2H3,(H,17,19)(H,15,16,18)
InChIKeyXUWHNPFTTPUMAX-UHFFFAOYSA-N
MW327.16 g/mol
LogP2.51
Rot. Bonds3

About 3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (PubChem CID 138026371) has the molecular formula C12H12BrFN4O and a molecular weight of 327.16 g/mol. Its IUPAC name is 3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
PubChem CID138026371
Molecular FormulaC12H12BrFN4O
Molecular Weight327.16 g/mol
Exact Mass326.02
IUPAC Name3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCc1c(Br)cc(F)cc1C(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C12H12BrFN4O/c1-6-9(3-8(14)4-10(6)13)12(19)17-7(2)11-15-5-16-18-11/h3-5,7H,1-2H3,(H,17,19)(H,15,16,18)
InChIKeyXUWHNPFTTPUMAX-UHFFFAOYSA-N
XLogP2.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114194097
2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 113246898
2-bromo-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106281965
5-amino-2-fluoro-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106281069
6,8-difluoro-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-quinoline-3-carboxamide
CID 167990058
2-amino-4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 104878265
5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283519
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103722970
2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 114167823
2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106283696
5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106283670
2-chloro-5-methylsulfanyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716393

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (CID 138026371) is 3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is Cc1c(Br)cc(F)cc1C(=O)NC(C)c1ncn[nH]1.
What is the InChIKey of 3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The InChIKey is XUWHNPFTTPUMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4O/c1-6-9(3-8(14)4-10(6)13)12(19)17-7(2)11-15-5-16-18-11/h3-5,7H,1-2H3,(H,17,19)(H,15,16,18).
What are the key properties of 3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide has a molecular weight of 327.16 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 138026371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).