N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide

C15H12BrClN4O2 — CID 2641213

IUPACN-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
SMILESCc1cc(NC(=O)COn2nnc3ccc(Cl)cc32)ccc1Br
InChIInChI=1S/C15H12BrClN4O2/c1-9-6-11(3-4-12(9)16)18-15(22)8-23-21-14-7-10(17)2-5-13(14)19-20-21/h2-7H,8H2,1H3,(H,18,22)
InChIKeyYFCKEUPCYKBQPD-UHFFFAOYSA-N
MW395.64 g/mol
LogP3.22
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide

N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide (PubChem CID 2641213) has the molecular formula C15H12BrClN4O2 and a molecular weight of 395.64 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
PubChem CID2641213
Molecular FormulaC15H12BrClN4O2
Molecular Weight395.64 g/mol
Exact Mass393.98
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
SMILESCc1cc(NC(=O)COn2nnc3ccc(Cl)cc32)ccc1Br
InChIInChI=1S/C15H12BrClN4O2/c1-9-6-11(3-4-12(9)16)18-15(22)8-23-21-14-7-10(17)2-5-13(14)19-20-21/h2-7H,8H2,1H3,(H,18,22)
InChIKeyYFCKEUPCYKBQPD-UHFFFAOYSA-N
XLogP3.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.64
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 2515806
2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide
CID 2108008
N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2695468
N-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 7696724
4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26054829
methyl 3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7705944
2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
CID 7696914
ethyl 2-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7696888
N-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701498
N-(3,4-dichlorophenyl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide
CID 4132630
N-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 7697213
N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide
CID 7696381

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide (CID 2641213) is N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide is Cc1cc(NC(=O)COn2nnc3ccc(Cl)cc32)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide?
The InChIKey is YFCKEUPCYKBQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN4O2/c1-9-6-11(3-4-12(9)16)18-15(22)8-23-21-14-7-10(17)2-5-13(14)19-20-21/h2-7H,8H2,1H3,(H,18,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide?
N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide has a molecular weight of 395.64 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide is sourced from PubChem (CID 2641213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).