2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide

C11H10BrFN4O — CID 167947878

IUPAC2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCc1nc(NC(=O)Cc2ccc(F)cc2Br)n[nH]1
InChIInChI=1S/C11H10BrFN4O/c1-6-14-11(17-16-6)15-10(18)4-7-2-3-8(13)5-9(7)12/h2-3,5H,4H2,1H3,(H2,14,15,16,17,18)
InChIKeyVHNSYLFQQJQZQK-UHFFFAOYSA-N
MW313.13 g/mol
LogP2.20
Rot. Bonds3

About 2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide

2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 167947878) has the molecular formula C11H10BrFN4O and a molecular weight of 313.13 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID167947878
Molecular FormulaC11H10BrFN4O
Molecular Weight313.13 g/mol
Exact Mass312.00
IUPAC Name2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCc1nc(NC(=O)Cc2ccc(F)cc2Br)n[nH]1
InChIInChI=1S/C11H10BrFN4O/c1-6-14-11(17-16-6)15-10(18)4-7-2-3-8(13)5-9(7)12/h2-3,5H,4H2,1H3,(H2,14,15,16,17,18)
InChIKeyVHNSYLFQQJQZQK-UHFFFAOYSA-N
XLogP2.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromo-4-fluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea
CID 138022624
2-bromo-4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 79028844
2-(2-bromo-4-fluorophenyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 122146556
2-[(4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927587
3-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 78927661
2-(5-chloro-2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927767
2-(4-aminophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 110472728
4-fluoro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 103830032
2-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzoic acid
CID 113431532
3-bromo-5-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928260
2-(2,4-difluorophenyl)-N-(2,6-dimethylphenyl)acetamide
CID 110488922
2-(2-bromo-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 43022536

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide (CID 167947878) is 2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide is Cc1nc(NC(=O)Cc2ccc(F)cc2Br)n[nH]1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is VHNSYLFQQJQZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4O/c1-6-14-11(17-16-6)15-10(18)4-7-2-3-8(13)5-9(7)12/h2-3,5H,4H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 313.13 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 167947878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).