N-(3-bromo-4-methylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C15H12BrF3N2O2 — CID 7633549

IUPACN-(3-bromo-4-methylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1Br
InChIInChI=1S/C15H12BrF3N2O2/c1-9-2-4-11(6-12(9)16)20-13(22)8-21-7-10(15(17,18)19)3-5-14(21)23/h2-7H,8H2,1H3,(H,20,22)
InChIKeyFRYBEFMMHSAIAC-UHFFFAOYSA-N
MW389.17 g/mol
LogP3.58
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(3-bromo-4-methylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 7633549) has the molecular formula C15H12BrF3N2O2 and a molecular weight of 389.17 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID7633549
Molecular FormulaC15H12BrF3N2O2
Molecular Weight389.17 g/mol
Exact Mass388.00
IUPAC NameN-(3-bromo-4-methylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1Br
InChIInChI=1S/C15H12BrF3N2O2/c1-9-2-4-11(6-12(9)16)20-13(22)8-21-7-10(15(17,18)19)3-5-14(21)23/h2-7H,8H2,1H3,(H,20,22)
InChIKeyFRYBEFMMHSAIAC-UHFFFAOYSA-N
XLogP3.58
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.17
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-bromo-4-methylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 7633549) is N-(3-bromo-4-methylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is Cc1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is FRYBEFMMHSAIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3N2O2/c1-9-2-4-11(6-12(9)16)20-13(22)8-21-7-10(15(17,18)19)3-5-14(21)23/h2-7H,8H2,1H3,(H,20,22).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(3-bromo-4-methylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 389.17 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 7633549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).