2-[(3-bromo-2-pyridinyl)amino]-4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzamide

C26H19BrF3N3O — CID 69279462

IUPAC2-[(3-bromo-2-pyridinyl)amino]-4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c(Nc2ncccc2Br)c1-c1ccccc1
InChIInChI=1S/C26H19BrF3N3O/c1-16-12-13-20(25(34)32-19-10-5-9-18(15-19)26(28,29)30)23(22(16)17-7-3-2-4-8-17)33-24-21(27)11-6-14-31-24/h2-15H,1H3,(H,31,33)(H,32,34)
InChIKeyPOXXXJDVGSKMAP-UHFFFAOYSA-N
MW526.36 g/mol
LogP7.83
Rot. Bonds5

About 2-[(3-bromo-2-pyridinyl)amino]-4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzamide

2-[(3-bromo-2-pyridinyl)amino]-4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 69279462) has the molecular formula C26H19BrF3N3O and a molecular weight of 526.36 g/mol. Its IUPAC name is 2-[(3-bromo-2-pyridinyl)amino]-4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(3-bromo-2-pyridinyl)amino]-4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID69279462
Molecular FormulaC26H19BrF3N3O
Molecular Weight526.36 g/mol
Exact Mass525.07
IUPAC Name2-[(3-bromo-2-pyridinyl)amino]-4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c(Nc2ncccc2Br)c1-c1ccccc1
InChIInChI=1S/C26H19BrF3N3O/c1-16-12-13-20(25(34)32-19-10-5-9-18(15-19)26(28,29)30)23(22(16)17-7-3-2-4-8-17)33-24-21(27)11-6-14-31-24/h2-15H,1H3,(H,31,33)(H,32,34)
InChIKeyPOXXXJDVGSKMAP-UHFFFAOYSA-N
XLogP7.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.36
LogP ≤ 57.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
3-(2-(6-aminopyridin-3-yl)ethynyl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16109023
N-(3-Bromo-5-(trifluoromethyl)phenyl)-4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzamide
CID 44621663
N-(5-Bromo-2-pyridinyl)-1-naphthamide
CID 593268
5-Bromo-N-(4-methyl-2-{[3-(trifluoromethyl)phenyl]amino}quinolin-6-YL)pyridine-3-carboxamide
CID 16021375
N-(5-bromopyridin-2-yl)-3-(4-oxoquinazolin-3(4H)-yl)propanamide
CID 16426130
Dimethyl-[3-[3-[[4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzoyl]amino]-5-(trifluoromethyl)phenyl]propyl]azanium
CID 24916922
N-(5-bromopyridin-2-yl)naphthalene-2-carboxamide
CID 792421
2''-Sulfamoyl-biphenyl-4-carboxylic acid [2-(5-bromo-pyridin-2-ylcarbamoyl)-phenyl]-amide
CID 9959268
6-(3-bromoanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 10073313
N-(4-fluorobenzyl)-N-(2-(isopropylamino)pyridin-4-yl)-2-naphthamide
CID 11269935
2''-Sulfamoyl-biphenyl-4-carboxylic acid [4-acetylamino-2-(5-bromo-pyridin-2-ylcarbamoyl)-phenyl]-amide
CID 18727777

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-pyridinyl)amino]-4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[(3-bromo-2-pyridinyl)amino]-4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 69279462) is 2-[(3-bromo-2-pyridinyl)amino]-4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[(3-bromo-2-pyridinyl)amino]-4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[(3-bromo-2-pyridinyl)amino]-4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c(Nc2ncccc2Br)c1-c1ccccc1.
What is the InChIKey of 2-[(3-bromo-2-pyridinyl)amino]-4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is POXXXJDVGSKMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrF3N3O/c1-16-12-13-20(25(34)32-19-10-5-9-18(15-19)26(28,29)30)23(22(16)17-7-3-2-4-8-17)33-24-21(27)11-6-14-31-24/h2-15H,1H3,(H,31,33)(H,32,34).
What are the key properties of 2-[(3-bromo-2-pyridinyl)amino]-4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzamide?
2-[(3-bromo-2-pyridinyl)amino]-4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 526.36 g/mol, XLogP of 7.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-pyridinyl)amino]-4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 69279462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).