2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]-5-(1H-isoindol-5-yl)benzamide;N-[1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(3-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-3-(1H-isoindol-5-yl)benzamide;3-(1H-isoindol-5-yl)-N-[1-(3-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide

C149H137F4N13O11 — CID 163504098

IUPAC2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]-5-(1H-isoindol-5-yl)benzamide;N-[1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(3-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-3-(1H-isoindol-5-yl)benzamide;3-(1H-isoindol-5-yl)-N-[1-(3-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCc1cc(C(CO)NC(=O)c2cccc(-c3ccc4c(c3)C=NC4)c2)ccc1F.Cc1cc(F)cc(C(CO)NC(=O)c2cccc(-c3ccc4c(c3)C=NC4)c2)c1.Cc1ccc(F)c(C(CO)NC(=O)c2cccc(-c3ccc4c(c3)C=NC4)c2)c1.Cc1cccc(C(CCO)NC(=O)c2cccc(-c3ccc4c(c3)C=NC4)c2)c1.Cc1cccc(C(CN2CCCC2)NC(=O)c2cccc(-c3ccc4c(c3)C=NC4)c2)c1.Cc1cccc(C(CO)NC(=O)c2cc(-c3ccc4c(c3)C=NC4)ccc2F)c1
InChIInChI=1S/C28H29N3O.C25H24N2O2.4C24H21FN2O2/c1-20-6-4-8-23(14-20)27(19-31-12-2-3-13-31)30-28(32)24-9-5-7-21(15-24)22-10-11-25-17-29-18-26(25)16-22;1-17-4-2-6-20(12-17)24(10-11-28)27-25(29)21-7-3-5-18(13-21)19-8-9-22-15-26-16-23(22)14-19;1-15-5-8-22(25)21(9-15)23(14-28)27-24(29)18-4-2-3-16(10-18)17-6-7-19-12-26-13-20(19)11-17;1-15-7-20(11-22(25)8-15)23(14-28)27-24(29)18-4-2-3-16(9-18)17-5-6-19-12-26-13-21(19)10-17;1-15-9-18(7-8-22(15)25)23(14-28)27-24(29)19-4-2-3-16(10-19)17-5-6-20-12-26-13-21(20)11-17;1-15-3-2-4-18(9-15)23(14-28)27-24(29)21-11-17(7-8-22(21)25)16-5-6-19-12-26-13-20(19)10-16/h4-11,14-16,18,27H,2-3,12-13,17,19H2,1H3,(H,30,32);2-9,12-14,16,24,28H,10-11,15H2,1H3,(H,27,29);4*2-11,13,23,28H,12,14H2,1H3,(H,27,29)
InChIKeyCXDBAZRNZHSSNJ-UHFFFAOYSA-N
MW2361.81 g/mol
LogP26.40
Rot. Bonds32

About 2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]-5-(1H-isoindol-5-yl)benzamide;N-[1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(3-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-3-(1H-isoindol-5-yl)benzamide;3-(1H-isoindol-5-yl)-N-[1-(3-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide

2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]-5-(1H-isoindol-5-yl)benzamide;N-[1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(3-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-3-(1H-isoindol-5-yl)benzamide;3-(1H-isoindol-5-yl)-N-[1-(3-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 163504098) has the molecular formula C149H137F4N13O11 and a molecular weight of 2361.81 g/mol. Its IUPAC name is 2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]-5-(1H-isoindol-5-yl)benzamide;N-[1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(3-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-3-(1H-isoindol-5-yl)benzamide;3-(1H-isoindol-5-yl)-N-[1-(3-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]-5-(1H-isoindol-5-yl)benzamide;N-[1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(3-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-3-(1H-isoindol-5-yl)benzamide;3-(1H-isoindol-5-yl)-N-[1-(3-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID163504098
Molecular FormulaC149H137F4N13O11
Molecular Weight2361.81 g/mol
Exact Mass2360.05
IUPAC Name2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]-5-(1H-isoindol-5-yl)benzamide;N-[1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(3-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-3-(1H-isoindol-5-yl)benzamide;3-(1H-isoindol-5-yl)-N-[1-(3-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCc1cc(C(CO)NC(=O)c2cccc(-c3ccc4c(c3)C=NC4)c2)ccc1F.Cc1cc(F)cc(C(CO)NC(=O)c2cccc(-c3ccc4c(c3)C=NC4)c2)c1.Cc1ccc(F)c(C(CO)NC(=O)c2cccc(-c3ccc4c(c3)C=NC4)c2)c1.Cc1cccc(C(CCO)NC(=O)c2cccc(-c3ccc4c(c3)C=NC4)c2)c1.Cc1cccc(C(CN2CCCC2)NC(=O)c2cccc(-c3ccc4c(c3)C=NC4)c2)c1.Cc1cccc(C(CO)NC(=O)c2cc(-c3ccc4c(c3)C=NC4)ccc2F)c1
InChIInChI=1S/C28H29N3O.C25H24N2O2.4C24H21FN2O2/c1-20-6-4-8-23(14-20)27(19-31-12-2-3-13-31)30-28(32)24-9-5-7-21(15-24)22-10-11-25-17-29-18-26(25)16-22;1-17-4-2-6-20(12-17)24(10-11-28)27-25(29)21-7-3-5-18(13-21)19-8-9-22-15-26-16-23(22)14-19;1-15-5-8-22(25)21(9-15)23(14-28)27-24(29)18-4-2-3-16(10-18)17-6-7-19-12-26-13-20(19)11-17;1-15-7-20(11-22(25)8-15)23(14-28)27-24(29)18-4-2-3-16(9-18)17-5-6-19-12-26-13-21(19)10-17;1-15-9-18(7-8-22(15)25)23(14-28)27-24(29)19-4-2-3-16(10-19)17-5-6-20-12-26-13-21(20)11-17;1-15-3-2-4-18(9-15)23(14-28)27-24(29)21-11-17(7-8-22(21)25)16-5-6-19-12-26-13-20(19)10-16/h4-11,14-16,18,27H,2-3,12-13,17,19H2,1H3,(H,30,32);2-9,12-14,16,24,28H,10-11,15H2,1H3,(H,27,29);4*2-11,13,23,28H,12,14H2,1H3,(H,27,29)
InChIKeyCXDBAZRNZHSSNJ-UHFFFAOYSA-N
XLogP26.40
TPSA353.15 Ų
H-Bond Donors11
H-Bond Acceptors18
Rotatable Bonds32
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002361.81
LogP ≤ 526.40
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1018

Analyze 2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]-5-(1H-isoindol-5-yl)benzamide;N-[1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(3-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-3-(1H-isoindol-5-yl)benzamide;3-(1H-isoindol-5-yl)-N-[1-(3-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]-5-(1H-isoindol-5-yl)benzamide;N-[1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(3-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-3-(1H-isoindol-5-yl)benzamide;3-(1H-isoindol-5-yl)-N-[1-(3-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]-5-(1H-isoindol-5-yl)benzamide;N-[1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(3-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-3-(1H-isoindol-5-yl)benzamide;3-(1H-isoindol-5-yl)-N-[1-(3-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide (CID 163504098) is 2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]-5-(1H-isoindol-5-yl)benzamide;N-[1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(3-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-3-(1H-isoindol-5-yl)benzamide;3-(1H-isoindol-5-yl)-N-[1-(3-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]-5-(1H-isoindol-5-yl)benzamide;N-[1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(3-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-3-(1H-isoindol-5-yl)benzamide;3-(1H-isoindol-5-yl)-N-[1-(3-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]-5-(1H-isoindol-5-yl)benzamide;N-[1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(3-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-3-(1H-isoindol-5-yl)benzamide;3-(1H-isoindol-5-yl)-N-[1-(3-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide is Cc1cc(C(CO)NC(=O)c2cccc(-c3ccc4c(c3)C=NC4)c2)ccc1F.Cc1cc(F)cc(C(CO)NC(=O)c2cccc(-c3ccc4c(c3)C=NC4)c2)c1.Cc1ccc(F)c(C(CO)NC(=O)c2cccc(-c3ccc4c(c3)C=NC4)c2)c1.Cc1cccc(C(CCO)NC(=O)c2cccc(-c3ccc4c(c3)C=NC4)c2)c1.Cc1cccc(C(CN2CCCC2)NC(=O)c2cccc(-c3ccc4c(c3)C=NC4)c2)c1.Cc1cccc(C(CO)NC(=O)c2cc(-c3ccc4c(c3)C=NC4)ccc2F)c1.
What is the InChIKey of 2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]-5-(1H-isoindol-5-yl)benzamide;N-[1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(3-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-3-(1H-isoindol-5-yl)benzamide;3-(1H-isoindol-5-yl)-N-[1-(3-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is CXDBAZRNZHSSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O.C25H24N2O2.4C24H21FN2O2/c1-20-6-4-8-23(14-20)27(19-31-12-2-3-13-31)30-28(32)24-9-5-7-21(15-24)22-10-11-25-17-29-18-26(25)16-22;1-17-4-2-6-20(12-17)24(10-11-28)27-25(29)21-7-3-5-18(13-21)19-8-9-22-15-26-16-23(22)14-19;1-15-5-8-22(25)21(9-15)23(14-28)27-24(29)18-4-2-3-16(10-18)17-6-7-19-12-26-13-20(19)11-17;1-15-7-20(11-22(25)8-15)23(14-28)27-24(29)18-4-2-3-16(9-18)17-5-6-19-12-26-13-21(19)10-17;1-15-9-18(7-8-22(15)25)23(14-28)27-24(29)19-4-2-3-16(10-19)17-5-6-20-12-26-13-21(20)11-17;1-15-3-2-4-18(9-15)23(14-28)27-24(29)21-11-17(7-8-22(21)25)16-5-6-19-12-26-13-20(19)10-16/h4-11,14-16,18,27H,2-3,12-13,17,19H2,1H3,(H,30,32);2-9,12-14,16,24,28H,10-11,15H2,1H3,(H,27,29);4*2-11,13,23,28H,12,14H2,1H3,(H,27,29).
What are the key properties of 2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]-5-(1H-isoindol-5-yl)benzamide;N-[1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(3-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-3-(1H-isoindol-5-yl)benzamide;3-(1H-isoindol-5-yl)-N-[1-(3-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]-5-(1H-isoindol-5-yl)benzamide;N-[1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(3-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-3-(1H-isoindol-5-yl)benzamide;3-(1H-isoindol-5-yl)-N-[1-(3-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 2361.81 g/mol, XLogP of 26.40, 32 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]-5-(1H-isoindol-5-yl)benzamide;N-[1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(3-fluoro-5-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-3-(1H-isoindol-5-yl)benzamide;3-(1H-isoindol-5-yl)-N-[1-(3-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 163504098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).