2,6-difluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;N-[(2,6-difluorophenyl)methyl]-3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline

C36H24F12N6O — CID 162057916

IUPAC2,6-difluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;N-[(2,6-difluorophenyl)methyl]-3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline
SMILESCc1nc(C(F)(F)F)cn1-c1ccc(NC(=O)c2c(F)cccc2F)cc1F.Cc1nc(C(F)(F)F)cn1-c1ccc(NCc2c(F)cccc2F)cc1F
InChIInChI=1S/C18H11F6N3O.C18H13F6N3/c1-9-25-15(18(22,23)24)8-27(9)14-6-5-10(7-13(14)21)26-17(28)16-11(19)3-2-4-12(16)20;1-10-26-17(18(22,23)24)9-27(10)16-6-5-11(7-15(16)21)25-8-12-13(19)3-2-4-14(12)20/h2-8H,1H3,(H,26,28);2-7,9,25H,8H2,1H3
InChIKeyYZKVLCYWARXVCI-UHFFFAOYSA-N
MW784.60 g/mol
LogP10.10
Rot. Bonds7

About 2,6-difluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;N-[(2,6-difluorophenyl)methyl]-3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline

2,6-difluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;N-[(2,6-difluorophenyl)methyl]-3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline (PubChem CID 162057916) has the molecular formula C36H24F12N6O and a molecular weight of 784.60 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;N-[(2,6-difluorophenyl)methyl]-3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline.

Molecular Properties

Compound Name2,6-difluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;N-[(2,6-difluorophenyl)methyl]-3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline
PubChem CID162057916
Molecular FormulaC36H24F12N6O
Molecular Weight784.60 g/mol
Exact Mass784.18
IUPAC Name2,6-difluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;N-[(2,6-difluorophenyl)methyl]-3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline
SMILESCc1nc(C(F)(F)F)cn1-c1ccc(NC(=O)c2c(F)cccc2F)cc1F.Cc1nc(C(F)(F)F)cn1-c1ccc(NCc2c(F)cccc2F)cc1F
InChIInChI=1S/C18H11F6N3O.C18H13F6N3/c1-9-25-15(18(22,23)24)8-27(9)14-6-5-10(7-13(14)21)26-17(28)16-11(19)3-2-4-12(16)20;1-10-26-17(18(22,23)24)9-27(10)16-6-5-11(7-15(16)21)25-8-12-13(19)3-2-4-14(12)20/h2-8H,1H3,(H,26,28);2-7,9,25H,8H2,1H3
InChIKeyYZKVLCYWARXVCI-UHFFFAOYSA-N
XLogP10.10
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.60
LogP ≤ 510.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,6-difluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;N-[(2,6-difluorophenyl)methyl]-3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline with MolForge

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Related Compounds

N-(4-(((3S)-3-(dimethylamino)pyrrolidin-1-yl)carbonyl)phenyl)-5-fluoro-4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 16113377
Azd-5597
CID 16113484
N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
CID 53375782
N-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]amino]phenyl]-3-(propanoylamino)benzamide
CID 137652755
N-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]amino]phenyl]-3-(prop-2-enoylamino)benzamide
CID 137650943
((R)-3-(dimethylamino)pyrrolidin-1-yl)(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)phenyl)methanone
CID 44562683
4-((4-(4-fluorophenyl)-5-(2-((S)-1-phenylethylamino)pyrimidin-4-yl)-1H-imidazol-1-yl)methyl)benzamide
CID 44568361
2,6-difluoro-N-(3-(3-(2-(3-(pyrrolidin-1-ylmethyl)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 44571764
3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide
CID 146293961
3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146293963
3-[4-(3,5-dimethylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146293969
N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide
CID 146293970

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;N-[(2,6-difluorophenyl)methyl]-3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline?
The IUPAC name of 2,6-difluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;N-[(2,6-difluorophenyl)methyl]-3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline (CID 162057916) is 2,6-difluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;N-[(2,6-difluorophenyl)methyl]-3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline.
What is the SMILES notation for 2,6-difluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;N-[(2,6-difluorophenyl)methyl]-3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline?
The canonical SMILES for 2,6-difluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;N-[(2,6-difluorophenyl)methyl]-3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline is Cc1nc(C(F)(F)F)cn1-c1ccc(NC(=O)c2c(F)cccc2F)cc1F.Cc1nc(C(F)(F)F)cn1-c1ccc(NCc2c(F)cccc2F)cc1F.
What is the InChIKey of 2,6-difluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;N-[(2,6-difluorophenyl)methyl]-3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline?
The InChIKey is YZKVLCYWARXVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6N3O.C18H13F6N3/c1-9-25-15(18(22,23)24)8-27(9)14-6-5-10(7-13(14)21)26-17(28)16-11(19)3-2-4-12(16)20;1-10-26-17(18(22,23)24)9-27(10)16-6-5-11(7-15(16)21)25-8-12-13(19)3-2-4-14(12)20/h2-8H,1H3,(H,26,28);2-7,9,25H,8H2,1H3.
What are the key properties of 2,6-difluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;N-[(2,6-difluorophenyl)methyl]-3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline?
2,6-difluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;N-[(2,6-difluorophenyl)methyl]-3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline has a molecular weight of 784.60 g/mol, XLogP of 10.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;N-[(2,6-difluorophenyl)methyl]-3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline is sourced from PubChem (CID 162057916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).