2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,3-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide

C130H98Cl4F3N13O8 — CID 161218295

IUPAC2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,3-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide
SMILESCc1cc2c(C)noc2cc1-c1ccc(NC(=O)c2ccccc2Cl)cc1.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)cc1)C=NC2.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3Cl)cc1)C=NC2.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3F)cc1)C=NC2.Cc1cc2cn[nH]c2cc1-c1ccc(NC(=O)c2ccccc2Cl)cc1.Cc1cc2ncoc2cc1-c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C22H17ClN2O2.C22H17ClN2O.C22H16F2N2O.C22H17FN2O.C21H16ClN3O.C21H15ClN2O2/c1-13-11-19-14(2)25-27-21(19)12-18(13)15-7-9-16(10-8-15)24-22(26)17-5-3-4-6-20(17)23;1-14-10-16-12-24-13-17(16)11-20(14)15-6-8-18(9-7-15)25-22(26)19-4-2-3-5-21(19)23;1-13-9-15-11-25-12-16(15)10-18(13)14-5-7-17(8-6-14)26-22(27)21-19(23)3-2-4-20(21)24;1-14-10-16-12-24-13-17(16)11-20(14)15-6-8-18(9-7-15)25-22(26)19-4-2-3-5-21(19)23;1-13-10-15-12-23-25-20(15)11-18(13)14-6-8-16(9-7-14)24-21(26)17-4-2-3-5-19(17)22;1-13-10-19-20(26-12-23-19)11-17(13)14-6-8-15(9-7-14)24-21(25)16-4-2-3-5-18(16)22/h3-12H,1-2H3,(H,24,26);2-11,13H,12H2,1H3,(H,25,26);2-10,12H,11H2,1H3,(H,26,27);2-11,13H,12H2,1H3,(H,25,26);2-12H,1H3,(H,23,25)(H,24,26);2-12H,1H3,(H,24,25)
InChIKeyUXDYTZRGGFDSFP-UHFFFAOYSA-N
MW2169.10 g/mol
LogP32.78
Rot. Bonds18

About 2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,3-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide

2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,3-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide (PubChem CID 161218295) has the molecular formula C130H98Cl4F3N13O8 and a molecular weight of 2169.10 g/mol. Its IUPAC name is 2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,3-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,3-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide
PubChem CID161218295
Molecular FormulaC130H98Cl4F3N13O8
Molecular Weight2169.10 g/mol
Exact Mass2165.64
IUPAC Name2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,3-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide
SMILESCc1cc2c(C)noc2cc1-c1ccc(NC(=O)c2ccccc2Cl)cc1.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)cc1)C=NC2.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3Cl)cc1)C=NC2.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3F)cc1)C=NC2.Cc1cc2cn[nH]c2cc1-c1ccc(NC(=O)c2ccccc2Cl)cc1.Cc1cc2ncoc2cc1-c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C22H17ClN2O2.C22H17ClN2O.C22H16F2N2O.C22H17FN2O.C21H16ClN3O.C21H15ClN2O2/c1-13-11-19-14(2)25-27-21(19)12-18(13)15-7-9-16(10-8-15)24-22(26)17-5-3-4-6-20(17)23;1-14-10-16-12-24-13-17(16)11-20(14)15-6-8-18(9-7-15)25-22(26)19-4-2-3-5-21(19)23;1-13-9-15-11-25-12-16(15)10-18(13)14-5-7-17(8-6-14)26-22(27)21-19(23)3-2-4-20(21)24;1-14-10-16-12-24-13-17(16)11-20(14)15-6-8-18(9-7-15)25-22(26)19-4-2-3-5-21(19)23;1-13-10-15-12-23-25-20(15)11-18(13)14-6-8-16(9-7-14)24-21(26)17-4-2-3-5-19(17)22;1-13-10-19-20(26-12-23-19)11-17(13)14-6-8-15(9-7-14)24-21(25)16-4-2-3-5-18(16)22/h3-12H,1-2H3,(H,24,26);2-11,13H,12H2,1H3,(H,25,26);2-10,12H,11H2,1H3,(H,26,27);2-11,13H,12H2,1H3,(H,25,26);2-12H,1H3,(H,23,25)(H,24,26);2-12H,1H3,(H,24,25)
InChIKeyUXDYTZRGGFDSFP-UHFFFAOYSA-N
XLogP32.78
TPSA292.42 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002169.10
LogP ≤ 532.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze 2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,3-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide with MolForge

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Related Compounds

7-chloro-1-ethyl-6-fluoro-N-[4-[4-(5-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-4-oxoquinoline-3-carboxamide;1-ethyl-6-fluoro-7-methyl-N-[4-[4-(4-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-4-oxoquinoline-3-carboxamide;methane
CID 157196271
1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;2-methylnaphthalene
CID 157248855
2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;3-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]pyridine-4-carboxamide
CID 158065768
6-chloro-4-ethyl-7-fluoro-N-[4-[4-(5-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1-oxo-4H-naphthalene-2-carboxamide;4-ethyl-7-fluoro-6-methyl-N-[4-[4-(4-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1-oxo-4H-naphthalene-2-carboxamide
CID 158472623
2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide
CID 158630386
7-chloro-1-ethyl-6-fluoro-N-[4-[4-(5-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-4-oxoquinoline-3-carboxamide;1-ethyl-6-fluoro-7-methyl-N-[4-[4-(4-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-4-oxoquinoline-3-carboxamide
CID 158846615
5-tert-butyl-1,3-benzoxazole;2-tert-butyl-5-chloro-1,3-difluorobenzene;3-tert-butyl-1-chloro-2,4-difluorobenzene;2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-dichloro-4-methylbenzene;2-tert-butyl-1,3-dichloro-5-methylbenzene;2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,3-difluoro-4-methoxybenzene;2-tert-butyl-1,3-difluoro-4-methylbenzene;bis(2-tert-butyl-1,3-difluoro-5-methylbenzene);5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-1H-indazole;2-tert-butyl-1,3,4-trifluorobenzene;2-tert-butyl-1,3,5-trifluorobenzene
CID 163769199
1-(4-chloro-1H-indazol-5-yl)propan-1-amine;N-methyl-1-(2-methylphenyl)ethanimine;2-(1-methylpyrazol-4-yl)-5-propyl-1,3-benzoxazole
CID 167446853
5-butan-2-yl-4-chloro-1H-indazole;5-ethyl-2-(1-methylpyrazol-4-yl)-1,3-benzoxazole;N-methyl-1-(2-methylphenyl)ethanimine
CID 167447608

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,3-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,3-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide (CID 161218295) is 2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,3-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,3-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,3-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide is Cc1cc2c(C)noc2cc1-c1ccc(NC(=O)c2ccccc2Cl)cc1.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)cc1)C=NC2.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3Cl)cc1)C=NC2.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3F)cc1)C=NC2.Cc1cc2cn[nH]c2cc1-c1ccc(NC(=O)c2ccccc2Cl)cc1.Cc1cc2ncoc2cc1-c1ccc(NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,3-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide?
The InChIKey is UXDYTZRGGFDSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2.C22H17ClN2O.C22H16F2N2O.C22H17FN2O.C21H16ClN3O.C21H15ClN2O2/c1-13-11-19-14(2)25-27-21(19)12-18(13)15-7-9-16(10-8-15)24-22(26)17-5-3-4-6-20(17)23;1-14-10-16-12-24-13-17(16)11-20(14)15-6-8-18(9-7-15)25-22(26)19-4-2-3-5-21(19)23;1-13-9-15-11-25-12-16(15)10-18(13)14-5-7-17(8-6-14)26-22(27)21-19(23)3-2-4-20(21)24;1-14-10-16-12-24-13-17(16)11-20(14)15-6-8-18(9-7-15)25-22(26)19-4-2-3-5-21(19)23;1-13-10-15-12-23-25-20(15)11-18(13)14-6-8-16(9-7-14)24-21(26)17-4-2-3-5-19(17)22;1-13-10-19-20(26-12-23-19)11-17(13)14-6-8-15(9-7-14)24-21(25)16-4-2-3-5-18(16)22/h3-12H,1-2H3,(H,24,26);2-11,13H,12H2,1H3,(H,25,26);2-10,12H,11H2,1H3,(H,26,27);2-11,13H,12H2,1H3,(H,25,26);2-12H,1H3,(H,23,25)(H,24,26);2-12H,1H3,(H,24,25).
What are the key properties of 2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,3-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide?
2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,3-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide has a molecular weight of 2169.10 g/mol, XLogP of 32.78, 18 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,3-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide is sourced from PubChem (CID 161218295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).