3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide;N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone

C102H101F11N14O9 — CID 160687536

IUPAC3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide;N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N(C)C)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C27H28F3N5O3.C26H27F3N4O2.C25H23F3N2O2.C24H23F2N3O2/c1-18-23(16-22(17-31-18)32-26(36)19-3-2-4-21(13-19)27(28,29)30)20-14-24(34-5-9-37-10-6-34)33-25(15-20)35-7-11-38-12-8-35;1-17-7-8-21(30-25(34)18-5-4-6-20(13-18)26(27,28)29)16-22(17)19-14-23(32(2)3)31-24(15-19)33-9-11-35-12-10-33;1-17-5-6-20(23(31)14-18-3-2-4-21(13-18)25(26,27)28)15-22(17)19-7-8-29-24(16-19)30-9-11-32-12-10-30;1-16-5-6-20(28-24(30)19-4-2-3-18(13-19)23(25)26)15-21(16)17-7-8-27-22(14-17)29-9-11-31-12-10-29/h2-4,13-17H,5-12H2,1H3,(H,32,36);4-8,13-16H,9-12H2,1-3H3,(H,30,34);2-8,13,15-16H,9-12,14H2,1H3;2-8,13-15,23H,9-12H2,1H3,(H,28,30)
InChIKeyROYQYFPLHFFWKL-UHFFFAOYSA-N
MW1876.00 g/mol
LogP20.05
Rot. Bonds20

About 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide;N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone

3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide;N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 160687536) has the molecular formula C102H101F11N14O9 and a molecular weight of 1876.00 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide;N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide;N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID160687536
Molecular FormulaC102H101F11N14O9
Molecular Weight1876.00 g/mol
Exact Mass1874.77
IUPAC Name3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide;N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N(C)C)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C27H28F3N5O3.C26H27F3N4O2.C25H23F3N2O2.C24H23F2N3O2/c1-18-23(16-22(17-31-18)32-26(36)19-3-2-4-21(13-19)27(28,29)30)20-14-24(34-5-9-37-10-6-34)33-25(15-20)35-7-11-38-12-8-35;1-17-7-8-21(30-25(34)18-5-4-6-20(13-18)26(27,28)29)16-22(17)19-14-23(32(2)3)31-24(15-19)33-9-11-35-12-10-33;1-17-5-6-20(23(31)14-18-3-2-4-21(13-18)25(26,27)28)15-22(17)19-7-8-29-24(16-19)30-9-11-32-12-10-30;1-16-5-6-20(28-24(30)19-4-2-3-18(13-19)23(25)26)15-21(16)17-7-8-27-22(14-17)29-9-11-31-12-10-29/h2-4,13-17H,5-12H2,1H3,(H,32,36);4-8,13-16H,9-12H2,1-3H3,(H,30,34);2-8,13,15-16H,9-12,14H2,1H3;2-8,13-15,23H,9-12H2,1H3,(H,28,30)
InChIKeyROYQYFPLHFFWKL-UHFFFAOYSA-N
XLogP20.05
TPSA234.41 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001876.00
LogP ≤ 520.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide;N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone with MolForge

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Related Compounds

N-[5-(2,6-dimorpholin-4-ylpyridin-4-yl)-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 86297088
3-(difluoromethyl)-N-[6-methyl-5-(2-morpholin-4-ylpyridin-4-yl)pyridin-3-yl]benzamide
CID 86297480
N-[6-methyl-5-(2-morpholin-4-ylpyridin-4-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 86297691
3-(1,1-difluoroethyl)-N-[6-methyl-5-(2-morpholin-4-ylpyridin-4-yl)pyridin-3-yl]benzamide
CID 86297692
3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)phenyl]-5-(trifluoromethyl)benzamide
CID 90408857
N-[4-methyl-3-(6-morpholin-4-ylpyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 90409447
N-[5-[6-(dimethylamino)-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90456483
2-(1,1-difluoropropyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)pyridin-3-yl]pyridine-4-carboxamide
CID 90460448
2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-methylphenyl]pyridine-4-carboxamide
CID 90461292
3-[(dimethylamino)methyl]-N-[5-[6-(dimethylamino)-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-5-(trifluoromethyl)benzamide
CID 117609578
N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-ylpyridin-4-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 117609720
N-[5-[6-[2-hydroxyethyl(methyl)amino]-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609803

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide;N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide;N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone (CID 160687536) is 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide;N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide;N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide;N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone is Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N(C)C)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1.
What is the InChIKey of 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide;N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is ROYQYFPLHFFWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N5O3.C26H27F3N4O2.C25H23F3N2O2.C24H23F2N3O2/c1-18-23(16-22(17-31-18)32-26(36)19-3-2-4-21(13-19)27(28,29)30)20-14-24(34-5-9-37-10-6-34)33-25(15-20)35-7-11-38-12-8-35;1-17-7-8-21(30-25(34)18-5-4-6-20(13-18)26(27,28)29)16-22(17)19-14-23(32(2)3)31-24(15-19)33-9-11-35-12-10-33;1-17-5-6-20(23(31)14-18-3-2-4-21(13-18)25(26,27)28)15-22(17)19-7-8-29-24(16-19)30-9-11-32-12-10-30;1-16-5-6-20(28-24(30)19-4-2-3-18(13-19)23(25)26)15-21(16)17-7-8-27-22(14-17)29-9-11-31-12-10-29/h2-4,13-17H,5-12H2,1H3,(H,32,36);4-8,13-16H,9-12H2,1-3H3,(H,30,34);2-8,13,15-16H,9-12,14H2,1H3;2-8,13-15,23H,9-12H2,1H3,(H,28,30).
What are the key properties of 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide;N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide;N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 1876.00 g/mol, XLogP of 20.05, 20 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide;N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 160687536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).