2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide

C11H11BrFN5O — CID 114778017

IUPAC2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(-c2cc(Br)ccc2F)nn1
InChIInChI=1S/C11H11BrFN5O/c12-7-1-2-9(13)10(3-7)18-6-8(16-17-18)5-15-11(19)4-14/h1-3,6H,4-5,14H2,(H,15,19)
InChIKeyKUTXOJIGGQWDQP-UHFFFAOYSA-N
MW328.15 g/mol
LogP0.74
Rot. Bonds4

About 2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide

2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide (PubChem CID 114778017) has the molecular formula C11H11BrFN5O and a molecular weight of 328.15 g/mol. Its IUPAC name is 2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide
PubChem CID114778017
Molecular FormulaC11H11BrFN5O
Molecular Weight328.15 g/mol
Exact Mass327.01
IUPAC Name2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(-c2cc(Br)ccc2F)nn1
InChIInChI=1S/C11H11BrFN5O/c12-7-1-2-9(13)10(3-7)18-6-8(16-17-18)5-15-11(19)4-14/h1-3,6H,4-5,14H2,(H,15,19)
InChIKeyKUTXOJIGGQWDQP-UHFFFAOYSA-N
XLogP0.74
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]propan-1-amine
CID 66204265
2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide
CID 103481334
2-amino-N-[[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methyl]acetamide
CID 114254952
2-amino-N-[[1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778543
2-amino-N-[[1-(3-chloro-2-methylphenyl)triazol-4-yl]methyl]acetamide
CID 114777897
2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide
CID 114778064
2-amino-N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114933223
2-amino-N-[[1-[(2-bromo-3-fluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778514
2-[1-(4-bromo-2-fluorophenyl)triazol-4-yl]acetic acid
CID 107461136
2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide
CID 114777919
2-amino-N-[[1-[2-(4-bromophenoxy)ethyl]triazol-4-yl]methyl]acetamide
CID 114778611
2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide
CID 114778051

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide (CID 114778017) is 2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide is NCC(=O)NCc1cn(-c2cc(Br)ccc2F)nn1.
What is the InChIKey of 2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide?
The InChIKey is KUTXOJIGGQWDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN5O/c12-7-1-2-9(13)10(3-7)18-6-8(16-17-18)5-15-11(19)4-14/h1-3,6H,4-5,14H2,(H,15,19).
What are the key properties of 2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide has a molecular weight of 328.15 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114778017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).