3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;3-[[6-bromo-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide;3-[(5-chloro-6-fluoro-3H-indol-2-yl)amino]-N-methylbenzamide;6-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-2-carboxamide;3-[(6-fluoro-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;N-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzamide;N-methyl-3-[[6-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]benzamide

C110H91Br2Cl3F8N24O10 — CID 161184208

IUPAC3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;3-[[6-bromo-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide;3-[(5-chloro-6-fluoro-3H-indol-2-yl)amino]-N-methylbenzamide;6-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-2-carboxamide;3-[(6-fluoro-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;N-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzamide;N-methyl-3-[[6-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]benzamide
SMILESCNC(=O)c1cccc(NC2=Nc3cc(Br)c(C(F)(F)F)cc3C2)c1.CNC(=O)c1cccc(NC2=Nc3cc(Br)c(C)cc3C2)c1.CNC(=O)c1cccc(NC2=Nc3cc(F)c(C)cc3C2)c1.CNC(=O)c1cccc(NC2=Nc3cc(F)c(Cl)cc3C2)c1.CNC(=O)c1cccc(Nc2nc3cc(Cl)c(Cl)cc3o2)n1.CNC(=O)c1cccc(Nc2nc3ncc(C(F)(F)F)cc3o2)c1.CNC(=O)c1cccc(Nc2nc3ncccc3o2)c1
InChIInChI=1S/C17H13BrF3N3O.C17H16BrN3O.C17H16FN3O.C16H13ClFN3O.C15H11F3N4O2.C14H10Cl2N4O2.C14H12N4O2/c1-22-16(25)9-3-2-4-11(5-9)23-15-7-10-6-12(17(19,20)21)13(18)8-14(10)24-15;2*1-10-6-12-8-16(21-15(12)9-14(10)18)20-13-5-3-4-11(7-13)17(22)19-2;1-19-16(22)9-3-2-4-11(5-9)20-15-7-10-6-12(17)13(18)8-14(10)21-15;1-19-13(23)8-3-2-4-10(5-8)21-14-22-12-11(24-14)6-9(7-20-12)15(16,17)18;1-17-13(21)9-3-2-4-12(18-9)20-14-19-10-5-7(15)8(16)6-11(10)22-14;1-15-13(19)9-4-2-5-10(8-9)17-14-18-12-11(20-14)6-3-7-16-12/h2-6,8H,7H2,1H3,(H,22,25)(H,23,24);2*3-7,9H,8H2,1-2H3,(H,19,22)(H,20,21);2-6,8H,7H2,1H3,(H,19,22)(H,20,21);2-7H,1H3,(H,19,23)(H,20,21,22);2-6H,1H3,(H,17,21)(H,18,19,20);2-8H,1H3,(H,15,19)(H,16,17,18)
InChIKeyUSWHDFGQTOOOPS-UHFFFAOYSA-N
MW2327.25 g/mol
LogP24.37
Rot. Bonds17

About 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;3-[[6-bromo-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide;3-[(5-chloro-6-fluoro-3H-indol-2-yl)amino]-N-methylbenzamide;6-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-2-carboxamide;3-[(6-fluoro-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;N-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzamide;N-methyl-3-[[6-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]benzamide

3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;3-[[6-bromo-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide;3-[(5-chloro-6-fluoro-3H-indol-2-yl)amino]-N-methylbenzamide;6-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-2-carboxamide;3-[(6-fluoro-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;N-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzamide;N-methyl-3-[[6-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]benzamide (PubChem CID 161184208) has the molecular formula C110H91Br2Cl3F8N24O10 and a molecular weight of 2327.25 g/mol. Its IUPAC name is 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;3-[[6-bromo-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide;3-[(5-chloro-6-fluoro-3H-indol-2-yl)amino]-N-methylbenzamide;6-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-2-carboxamide;3-[(6-fluoro-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;N-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzamide;N-methyl-3-[[6-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;3-[[6-bromo-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide;3-[(5-chloro-6-fluoro-3H-indol-2-yl)amino]-N-methylbenzamide;6-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-2-carboxamide;3-[(6-fluoro-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;N-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzamide;N-methyl-3-[[6-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]benzamide
PubChem CID161184208
Molecular FormulaC110H91Br2Cl3F8N24O10
Molecular Weight2327.25 g/mol
Exact Mass2322.47
IUPAC Name3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;3-[[6-bromo-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide;3-[(5-chloro-6-fluoro-3H-indol-2-yl)amino]-N-methylbenzamide;6-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-2-carboxamide;3-[(6-fluoro-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;N-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzamide;N-methyl-3-[[6-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]benzamide
SMILESCNC(=O)c1cccc(NC2=Nc3cc(Br)c(C(F)(F)F)cc3C2)c1.CNC(=O)c1cccc(NC2=Nc3cc(Br)c(C)cc3C2)c1.CNC(=O)c1cccc(NC2=Nc3cc(F)c(C)cc3C2)c1.CNC(=O)c1cccc(NC2=Nc3cc(F)c(Cl)cc3C2)c1.CNC(=O)c1cccc(Nc2nc3cc(Cl)c(Cl)cc3o2)n1.CNC(=O)c1cccc(Nc2nc3ncc(C(F)(F)F)cc3o2)c1.CNC(=O)c1cccc(Nc2nc3ncccc3o2)c1
InChIInChI=1S/C17H13BrF3N3O.C17H16BrN3O.C17H16FN3O.C16H13ClFN3O.C15H11F3N4O2.C14H10Cl2N4O2.C14H12N4O2/c1-22-16(25)9-3-2-4-11(5-9)23-15-7-10-6-12(17(19,20)21)13(18)8-14(10)24-15;2*1-10-6-12-8-16(21-15(12)9-14(10)18)20-13-5-3-4-11(7-13)17(22)19-2;1-19-16(22)9-3-2-4-11(5-9)20-15-7-10-6-12(17)13(18)8-14(10)21-15;1-19-13(23)8-3-2-4-10(5-8)21-14-22-12-11(24-14)6-9(7-20-12)15(16,17)18;1-17-13(21)9-3-2-4-12(18-9)20-14-19-10-5-7(15)8(16)6-11(10)22-14;1-15-13(19)9-4-2-5-10(8-9)17-14-18-12-11(20-14)6-3-7-16-12/h2-6,8H,7H2,1H3,(H,22,25)(H,23,24);2*3-7,9H,8H2,1-2H3,(H,19,22)(H,20,21);2-6,8H,7H2,1H3,(H,19,22)(H,20,21);2-7H,1H3,(H,19,23)(H,20,21,22);2-6H,1H3,(H,17,21)(H,18,19,20);2-8H,1H3,(H,15,19)(H,16,17,18)
InChIKeyUSWHDFGQTOOOPS-UHFFFAOYSA-N
XLogP24.37
TPSA454.11 Ų
H-Bond Donors14
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002327.25
LogP ≤ 524.37
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1027

Analyze 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;3-[[6-bromo-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide;3-[(5-chloro-6-fluoro-3H-indol-2-yl)amino]-N-methylbenzamide;6-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-2-carboxamide;3-[(6-fluoro-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;N-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzamide;N-methyl-3-[[6-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]benzamide with MolForge

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Related Compounds

2-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-4-carboxamide;5-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-3-carboxamide;6-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-2-carboxamide;methane;N-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzamide;N-methyl-3-[[6-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]benzamide
CID 160810681

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;3-[[6-bromo-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide;3-[(5-chloro-6-fluoro-3H-indol-2-yl)amino]-N-methylbenzamide;6-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-2-carboxamide;3-[(6-fluoro-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;N-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzamide;N-methyl-3-[[6-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]benzamide?
The IUPAC name of 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;3-[[6-bromo-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide;3-[(5-chloro-6-fluoro-3H-indol-2-yl)amino]-N-methylbenzamide;6-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-2-carboxamide;3-[(6-fluoro-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;N-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzamide;N-methyl-3-[[6-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]benzamide (CID 161184208) is 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;3-[[6-bromo-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide;3-[(5-chloro-6-fluoro-3H-indol-2-yl)amino]-N-methylbenzamide;6-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-2-carboxamide;3-[(6-fluoro-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;N-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzamide;N-methyl-3-[[6-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;3-[[6-bromo-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide;3-[(5-chloro-6-fluoro-3H-indol-2-yl)amino]-N-methylbenzamide;6-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-2-carboxamide;3-[(6-fluoro-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;N-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzamide;N-methyl-3-[[6-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]benzamide?
The canonical SMILES for 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;3-[[6-bromo-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide;3-[(5-chloro-6-fluoro-3H-indol-2-yl)amino]-N-methylbenzamide;6-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-2-carboxamide;3-[(6-fluoro-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;N-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzamide;N-methyl-3-[[6-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]benzamide is CNC(=O)c1cccc(NC2=Nc3cc(Br)c(C(F)(F)F)cc3C2)c1.CNC(=O)c1cccc(NC2=Nc3cc(Br)c(C)cc3C2)c1.CNC(=O)c1cccc(NC2=Nc3cc(F)c(C)cc3C2)c1.CNC(=O)c1cccc(NC2=Nc3cc(F)c(Cl)cc3C2)c1.CNC(=O)c1cccc(Nc2nc3cc(Cl)c(Cl)cc3o2)n1.CNC(=O)c1cccc(Nc2nc3ncc(C(F)(F)F)cc3o2)c1.CNC(=O)c1cccc(Nc2nc3ncccc3o2)c1.
What is the InChIKey of 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;3-[[6-bromo-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide;3-[(5-chloro-6-fluoro-3H-indol-2-yl)amino]-N-methylbenzamide;6-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-2-carboxamide;3-[(6-fluoro-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;N-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzamide;N-methyl-3-[[6-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]benzamide?
The InChIKey is USWHDFGQTOOOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF3N3O.C17H16BrN3O.C17H16FN3O.C16H13ClFN3O.C15H11F3N4O2.C14H10Cl2N4O2.C14H12N4O2/c1-22-16(25)9-3-2-4-11(5-9)23-15-7-10-6-12(17(19,20)21)13(18)8-14(10)24-15;2*1-10-6-12-8-16(21-15(12)9-14(10)18)20-13-5-3-4-11(7-13)17(22)19-2;1-19-16(22)9-3-2-4-11(5-9)20-15-7-10-6-12(17)13(18)8-14(10)21-15;1-19-13(23)8-3-2-4-10(5-8)21-14-22-12-11(24-14)6-9(7-20-12)15(16,17)18;1-17-13(21)9-3-2-4-12(18-9)20-14-19-10-5-7(15)8(16)6-11(10)22-14;1-15-13(19)9-4-2-5-10(8-9)17-14-18-12-11(20-14)6-3-7-16-12/h2-6,8H,7H2,1H3,(H,22,25)(H,23,24);2*3-7,9H,8H2,1-2H3,(H,19,22)(H,20,21);2-6,8H,7H2,1H3,(H,19,22)(H,20,21);2-7H,1H3,(H,19,23)(H,20,21,22);2-6H,1H3,(H,17,21)(H,18,19,20);2-8H,1H3,(H,15,19)(H,16,17,18).
What are the key properties of 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;3-[[6-bromo-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide;3-[(5-chloro-6-fluoro-3H-indol-2-yl)amino]-N-methylbenzamide;6-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-2-carboxamide;3-[(6-fluoro-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;N-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzamide;N-methyl-3-[[6-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]benzamide?
3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;3-[[6-bromo-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide;3-[(5-chloro-6-fluoro-3H-indol-2-yl)amino]-N-methylbenzamide;6-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-2-carboxamide;3-[(6-fluoro-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;N-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzamide;N-methyl-3-[[6-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]benzamide has a molecular weight of 2327.25 g/mol, XLogP of 24.37, 17 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;3-[[6-bromo-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide;3-[(5-chloro-6-fluoro-3H-indol-2-yl)amino]-N-methylbenzamide;6-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-2-carboxamide;3-[(6-fluoro-5-methyl-3H-indol-2-yl)amino]-N-methylbenzamide;N-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzamide;N-methyl-3-[[6-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 161184208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).