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

C12H13BrN4O2 — CID 103872993

IUPAC4-bromo-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCn1cnnc1CCNC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C12H13BrN4O2/c1-17-7-15-16-11(17)4-5-14-12(19)8-2-3-9(13)10(18)6-8/h2-3,6-7,18H,4-5H2,1H3,(H,14,19)
InChIKeyLINNMMXOUWUYFR-UHFFFAOYSA-N
MW325.17 g/mol
LogP1.26
Rot. Bonds4

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

4-bromo-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 103872993) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID103872993
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name4-bromo-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCn1cnnc1CCNC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C12H13BrN4O2/c1-17-7-15-16-11(17)4-5-14-12(19)8-2-3-9(13)10(18)6-8/h2-3,6-7,18H,4-5H2,1H3,(H,14,19)
InChIKeyLINNMMXOUWUYFR-UHFFFAOYSA-N
XLogP1.26
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-bromo-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-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

4-hydroxy-3-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 103956948
2,6-dichloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 63330503
5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-carboxamide
CID 63330474
4-(chloromethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 63330313
3-bromo-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 79466645
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
CID 63330822
5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 63331300
6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 63330662
3-bromo-4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 103706759
5-amino-2-bromo-4-fluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 63329018
4-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-nitrobenzamide
CID 61052023
3-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 126425555

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 103872993) is 4-bromo-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is Cn1cnnc1CCNC(=O)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is LINNMMXOUWUYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-17-7-15-16-11(17)4-5-14-12(19)8-2-3-9(13)10(18)6-8/h2-3,6-7,18H,4-5H2,1H3,(H,14,19).
What are the key properties of 4-bromo-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
4-bromo-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 325.17 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 103872993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).