5-[1-[(2-bromo-3-methoxyphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide

C15H19BrN4O3 — CID 141272283

IUPAC5-[1-[(2-bromo-3-methoxyphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide
SMILESCOc1cccc(Cn2cc(CCCCC(=O)NO)nn2)c1Br
InChIInChI=1S/C15H19BrN4O3/c1-23-13-7-4-5-11(15(13)16)9-20-10-12(17-19-20)6-2-3-8-14(21)18-22/h4-5,7,10,22H,2-3,6,8-9H2,1H3,(H,18,21)
InChIKeyWHBNYBDMZIOEDZ-UHFFFAOYSA-N
MW383.25 g/mol
LogP2.32
Rot. Bonds8

About 5-[1-[(2-bromo-3-methoxyphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide

5-[1-[(2-bromo-3-methoxyphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide (PubChem CID 141272283) has the molecular formula C15H19BrN4O3 and a molecular weight of 383.25 g/mol. Its IUPAC name is 5-[1-[(2-bromo-3-methoxyphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide.

Molecular Properties

Compound Name5-[1-[(2-bromo-3-methoxyphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide
PubChem CID141272283
Molecular FormulaC15H19BrN4O3
Molecular Weight383.25 g/mol
Exact Mass382.06
IUPAC Name5-[1-[(2-bromo-3-methoxyphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide
SMILESCOc1cccc(Cn2cc(CCCCC(=O)NO)nn2)c1Br
InChIInChI=1S/C15H19BrN4O3/c1-23-13-7-4-5-11(15(13)16)9-20-10-12(17-19-20)6-2-3-8-14(21)18-22/h4-5,7,10,22H,2-3,6,8-9H2,1H3,(H,18,21)
InChIKeyWHBNYBDMZIOEDZ-UHFFFAOYSA-N
XLogP2.32
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]propanoic acid
CID 107460776
5-[1-[(2-bromo-5-fluorophenyl)methyl]triazol-4-yl]pentanoic acid
CID 104538896
5-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]pentanoic acid
CID 107309540
N-[(2-bromo-3-methoxyphenyl)methyl]hydroxylamine
CID 117335656
3-[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]propanoic acid
CID 107460880
5-[1-[(4-bromophenyl)methyl]triazol-4-yl]pentanoic acid
CID 104538776
5-[1-[(5-bromo-2-fluorophenyl)methyl]triazol-4-yl]pentanoic acid
CID 104538718
2-amino-N-[[1-[(2-bromo-3-fluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778514
4-[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]butan-1-amine
CID 104539349
5-[1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]pentanoic acid
CID 104538723
N-[3-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]propyl]-2-methoxybenzamide
CID 171349979
5-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]triazol-4-yl]pentanoic acid
CID 104538700

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-bromo-3-methoxyphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide?
The IUPAC name of 5-[1-[(2-bromo-3-methoxyphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide (CID 141272283) is 5-[1-[(2-bromo-3-methoxyphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide.
What is the SMILES notation for 5-[1-[(2-bromo-3-methoxyphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide?
The canonical SMILES for 5-[1-[(2-bromo-3-methoxyphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide is COc1cccc(Cn2cc(CCCCC(=O)NO)nn2)c1Br.
What is the InChIKey of 5-[1-[(2-bromo-3-methoxyphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide?
The InChIKey is WHBNYBDMZIOEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O3/c1-23-13-7-4-5-11(15(13)16)9-20-10-12(17-19-20)6-2-3-8-14(21)18-22/h4-5,7,10,22H,2-3,6,8-9H2,1H3,(H,18,21).
What are the key properties of 5-[1-[(2-bromo-3-methoxyphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide?
5-[1-[(2-bromo-3-methoxyphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide has a molecular weight of 383.25 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-bromo-3-methoxyphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide is sourced from PubChem (CID 141272283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).