N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide

C160H163F6N17O8 — CID 163913021

IUPACN-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide
SMILESCC1=NCc2ccc(-c3ccc(OC(F)(F)F)c(C(=O)N[C@H](CN)c4cccc(C)c4)c3)cc21.CC1=NCc2ccc(-c3cccc(C(=O)N[C@@H](CN(C)C)c4cccc(C)c4)c3)cc21.CC1=NCc2ccc(-c3cccc(C(=O)N[C@H](CN(C)C)c4cccc(C)c4)c3)cc21.CCC[C@@H](NC(=O)c1cc(-c2ccc3c(c2)C(C)=NC3)ccn1)c1cccc(C)c1.CCC[C@H](NC(=O)c1cc(-c2ccc3c(c2)C(C)=NC3)ccc1OC(F)(F)F)c1cccc(C)c1.CCC[C@H](NC(=O)c1cc(-c2ccc3c(c2)C(C)=NC3)ccn1)c1cccc(C)c1
InChIInChI=1S/C28H27F3N2O2.2C27H29N3O.C26H24F3N3O2.2C26H27N3O/c1-4-6-25(21-8-5-7-17(2)13-21)33-27(34)24-15-20(11-12-26(24)35-28(29,30)31)19-9-10-22-16-32-18(3)23(22)14-19;2*1-18-7-5-9-22(13-18)26(17-30(3)4)29-27(31)23-10-6-8-20(14-23)21-11-12-24-16-28-19(2)25(24)15-21;1-15-4-3-5-19(10-15)23(13-30)32-25(33)22-12-18(8-9-24(22)34-26(27,28)29)17-6-7-20-14-31-16(2)21(20)11-17;2*1-4-6-24(21-8-5-7-17(2)13-21)29-26(30)25-15-20(11-12-27-25)19-9-10-22-16-28-18(3)23(22)14-19/h5,7-15,25H,4,6,16H2,1-3H3,(H,33,34);2*5-15,26H,16-17H2,1-4H3,(H,29,31);3-12,23H,13-14,30H2,1-2H3,(H,32,33);2*5,7-15,24H,4,6,16H2,1-3H3,(H,29,30)/t25-;2*26-;23-;2*24-/m010110/s1
InChIKeyQTVHXHBETCWTAJ-BOPUHGKSSA-N
MW2566.16 g/mol
LogP33.80
Rot. Bonds37

About N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide

N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide (PubChem CID 163913021) has the molecular formula C160H163F6N17O8 and a molecular weight of 2566.16 g/mol. Its IUPAC name is N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide
PubChem CID163913021
Molecular FormulaC160H163F6N17O8
Molecular Weight2566.16 g/mol
Exact Mass2564.28
IUPAC NameN-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide
SMILESCC1=NCc2ccc(-c3ccc(OC(F)(F)F)c(C(=O)N[C@H](CN)c4cccc(C)c4)c3)cc21.CC1=NCc2ccc(-c3cccc(C(=O)N[C@@H](CN(C)C)c4cccc(C)c4)c3)cc21.CC1=NCc2ccc(-c3cccc(C(=O)N[C@H](CN(C)C)c4cccc(C)c4)c3)cc21.CCC[C@@H](NC(=O)c1cc(-c2ccc3c(c2)C(C)=NC3)ccn1)c1cccc(C)c1.CCC[C@H](NC(=O)c1cc(-c2ccc3c(c2)C(C)=NC3)ccc1OC(F)(F)F)c1cccc(C)c1.CCC[C@H](NC(=O)c1cc(-c2ccc3c(c2)C(C)=NC3)ccn1)c1cccc(C)c1
InChIInChI=1S/C28H27F3N2O2.2C27H29N3O.C26H24F3N3O2.2C26H27N3O/c1-4-6-25(21-8-5-7-17(2)13-21)33-27(34)24-15-20(11-12-26(24)35-28(29,30)31)19-9-10-22-16-32-18(3)23(22)14-19;2*1-18-7-5-9-22(13-18)26(17-30(3)4)29-27(31)23-10-6-8-20(14-23)21-11-12-24-16-28-19(2)25(24)15-21;1-15-4-3-5-19(10-15)23(13-30)32-25(33)22-12-18(8-9-24(22)34-26(27,28)29)17-6-7-20-14-31-16(2)21(20)11-17;2*1-4-6-24(21-8-5-7-17(2)13-21)29-26(30)25-15-20(11-12-27-25)19-9-10-22-16-28-18(3)23(22)14-19/h5,7-15,25H,4,6,16H2,1-3H3,(H,33,34);2*5-15,26H,16-17H2,1-4H3,(H,29,31);3-12,23H,13-14,30H2,1-2H3,(H,32,33);2*5,7-15,24H,4,6,16H2,1-3H3,(H,29,30)/t25-;2*26-;23-;2*24-/m010110/s1
InChIKeyQTVHXHBETCWTAJ-BOPUHGKSSA-N
XLogP33.80
TPSA325.50 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds37
Heavy Atoms191
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002566.16
LogP ≤ 533.80
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide (CID 163913021) is N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide is CC1=NCc2ccc(-c3ccc(OC(F)(F)F)c(C(=O)N[C@H](CN)c4cccc(C)c4)c3)cc21.CC1=NCc2ccc(-c3cccc(C(=O)N[C@@H](CN(C)C)c4cccc(C)c4)c3)cc21.CC1=NCc2ccc(-c3cccc(C(=O)N[C@H](CN(C)C)c4cccc(C)c4)c3)cc21.CCC[C@@H](NC(=O)c1cc(-c2ccc3c(c2)C(C)=NC3)ccn1)c1cccc(C)c1.CCC[C@H](NC(=O)c1cc(-c2ccc3c(c2)C(C)=NC3)ccc1OC(F)(F)F)c1cccc(C)c1.CCC[C@H](NC(=O)c1cc(-c2ccc3c(c2)C(C)=NC3)ccn1)c1cccc(C)c1.
What is the InChIKey of N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is QTVHXHBETCWTAJ-BOPUHGKSSA-N. The full InChI is InChI=1S/C28H27F3N2O2.2C27H29N3O.C26H24F3N3O2.2C26H27N3O/c1-4-6-25(21-8-5-7-17(2)13-21)33-27(34)24-15-20(11-12-26(24)35-28(29,30)31)19-9-10-22-16-32-18(3)23(22)14-19;2*1-18-7-5-9-22(13-18)26(17-30(3)4)29-27(31)23-10-6-8-20(14-23)21-11-12-24-16-28-19(2)25(24)15-21;1-15-4-3-5-19(10-15)23(13-30)32-25(33)22-12-18(8-9-24(22)34-26(27,28)29)17-6-7-20-14-31-16(2)21(20)11-17;2*1-4-6-24(21-8-5-7-17(2)13-21)29-26(30)25-15-20(11-12-27-25)19-9-10-22-16-28-18(3)23(22)14-19/h5,7-15,25H,4,6,16H2,1-3H3,(H,33,34);2*5-15,26H,16-17H2,1-4H3,(H,29,31);3-12,23H,13-14,30H2,1-2H3,(H,32,33);2*5,7-15,24H,4,6,16H2,1-3H3,(H,29,30)/t25-;2*26-;23-;2*24-/m010110/s1.
What are the key properties of N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide?
N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 2566.16 g/mol, XLogP of 33.80, 37 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 163913021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).