2-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide

C12H12BrFN4O2 — CID 146104009

IUPAC2-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
SMILESNC(=O)C(c1ccc(Br)cc1F)n1cc(CCO)nn1
InChIInChI=1S/C12H12BrFN4O2/c13-7-1-2-9(10(14)5-7)11(12(15)20)18-6-8(3-4-19)16-17-18/h1-2,5-6,11,19H,3-4H2,(H2,15,20)
InChIKeyCFJDOJYEZISHKC-UHFFFAOYSA-N
MW343.16 g/mol
LogP0.79
Rot. Bonds5

About 2-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide

2-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide (PubChem CID 146104009) has the molecular formula C12H12BrFN4O2 and a molecular weight of 343.16 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
PubChem CID146104009
Molecular FormulaC12H12BrFN4O2
Molecular Weight343.16 g/mol
Exact Mass342.01
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
SMILESNC(=O)C(c1ccc(Br)cc1F)n1cc(CCO)nn1
InChIInChI=1S/C12H12BrFN4O2/c13-7-1-2-9(10(14)5-7)11(12(15)20)18-6-8(3-4-19)16-17-18/h1-2,5-6,11,19H,3-4H2,(H2,15,20)
InChIKeyCFJDOJYEZISHKC-UHFFFAOYSA-N
XLogP0.79
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.16
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
CID 62401695
N-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62401150
2-(4-bromo-2-fluorophenyl)-2-hydroxyacetamide
CID 62225649
2-(3-bromophenyl)-2-[4-(methoxymethyl)triazol-1-yl]acetamide
CID 146144512
ethyl 4-amino-6-[4-[2-amino-1-(4-bromo-2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-1,3,5-triazine-2-carboxylate
CID 166392758
2-(4-bromo-2-fluorophenyl)propanoic acid
CID 67119220
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
2-[1-(4-bromo-2-fluorophenyl)triazol-4-yl]acetic acid
CID 107461136
2-(azepan-1-yl)-2-(4-bromo-2-fluorophenyl)acetic acid
CID 54914947
(2S)-2-(4-bromo-2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 95776290
3-[1-[(4-bromo-2-fluorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 106220841
2-bromo-3-(4-bromo-2-fluorophenyl)propanamide
CID 104513020

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide (CID 146104009) is 2-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide is NC(=O)C(c1ccc(Br)cc1F)n1cc(CCO)nn1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
The InChIKey is CFJDOJYEZISHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4O2/c13-7-1-2-9(10(14)5-7)11(12(15)20)18-6-8(3-4-19)16-17-18/h1-2,5-6,11,19H,3-4H2,(H2,15,20).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
2-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide has a molecular weight of 343.16 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 146104009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).