4-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide

C22H16BrF5N2O3 — CID 87998048

IUPAC4-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide
SMILESCNC(=O)c1ccc(-c2c(C)[nH]c(=O)c(Br)c2OCc2ccc(F)cc2F)c(C(F)(F)F)c1
InChIInChI=1S/C22H16BrF5N2O3/c1-10-17(14-6-4-11(20(31)29-2)7-15(14)22(26,27)28)19(18(23)21(32)30-10)33-9-12-3-5-13(24)8-16(12)25/h3-8H,9H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyVSVBMNSNIXEBSW-UHFFFAOYSA-N
MW531.28 g/mol
LogP5.35
Rot. Bonds5

About 4-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide

4-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 87998048) has the molecular formula C22H16BrF5N2O3 and a molecular weight of 531.28 g/mol. Its IUPAC name is 4-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID87998048
Molecular FormulaC22H16BrF5N2O3
Molecular Weight531.28 g/mol
Exact Mass530.03
IUPAC Name4-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide
SMILESCNC(=O)c1ccc(-c2c(C)[nH]c(=O)c(Br)c2OCc2ccc(F)cc2F)c(C(F)(F)F)c1
InChIInChI=1S/C22H16BrF5N2O3/c1-10-17(14-6-4-11(20(31)29-2)7-15(14)22(26,27)28)19(18(23)21(32)30-10)33-9-12-3-5-13(24)8-16(12)25/h3-8H,9H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyVSVBMNSNIXEBSW-UHFFFAOYSA-N
XLogP5.35
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.28
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide 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 4-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide (CID 87998048) is 4-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide is CNC(=O)c1ccc(-c2c(C)[nH]c(=O)c(Br)c2OCc2ccc(F)cc2F)c(C(F)(F)F)c1.
What is the InChIKey of 4-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is VSVBMNSNIXEBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrF5N2O3/c1-10-17(14-6-4-11(20(31)29-2)7-15(14)22(26,27)28)19(18(23)21(32)30-10)33-9-12-3-5-13(24)8-16(12)25/h3-8H,9H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 4-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide?
4-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 531.28 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 87998048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).