N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide;bis(N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide);N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-4-methylbenzamide;2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide

C101H62Cl6F4N10O10 — CID 157297978

IUPACN-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide;bis(N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide);N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-4-methylbenzamide;2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cc4ocnc4cc3Cl)cc2)cc1.O=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccccc1Cl.O=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccccc1F.O=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccccc1F
InChIInChI=1S/C21H15ClN2O2.C20H12Cl2N2O2.C20H11ClF2N2O2.2C20H12ClFN2O2/c1-13-2-4-15(5-3-13)21(25)24-16-8-6-14(7-9-16)17-10-20-19(11-18(17)22)23-12-26-20;21-16-4-2-1-3-14(16)20(25)24-13-7-5-12(6-8-13)15-9-19-18(10-17(15)22)23-11-26-19;21-14-9-17-18(27-10-24-17)8-13(14)11-4-6-12(7-5-11)25-20(26)19-15(22)2-1-3-16(19)23;2*21-16-10-18-19(26-11-23-18)9-15(16)12-5-7-13(8-6-12)24-20(25)14-3-1-2-4-17(14)22/h2-12H,1H3,(H,24,25);1-11H,(H,24,25);1-10H,(H,25,26);2*1-11H,(H,24,25)
InChIKeyBBOIFWQBFVVUNC-UHFFFAOYSA-N
MW1864.38 g/mol
LogP28.52
Rot. Bonds15

About N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide;bis(N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide);N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-4-methylbenzamide;2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide

N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide;bis(N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide);N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-4-methylbenzamide;2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide (PubChem CID 157297978) has the molecular formula C101H62Cl6F4N10O10 and a molecular weight of 1864.38 g/mol. Its IUPAC name is N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide;bis(N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide);N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-4-methylbenzamide;2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide;bis(N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide);N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-4-methylbenzamide;2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide
PubChem CID157297978
Molecular FormulaC101H62Cl6F4N10O10
Molecular Weight1864.38 g/mol
Exact Mass1860.27
IUPAC NameN-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide;bis(N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide);N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-4-methylbenzamide;2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cc4ocnc4cc3Cl)cc2)cc1.O=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccccc1Cl.O=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccccc1F.O=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccccc1F
InChIInChI=1S/C21H15ClN2O2.C20H12Cl2N2O2.C20H11ClF2N2O2.2C20H12ClFN2O2/c1-13-2-4-15(5-3-13)21(25)24-16-8-6-14(7-9-16)17-10-20-19(11-18(17)22)23-12-26-20;21-16-4-2-1-3-14(16)20(25)24-13-7-5-12(6-8-13)15-9-19-18(10-17(15)22)23-11-26-19;21-14-9-17-18(27-10-24-17)8-13(14)11-4-6-12(7-5-11)25-20(26)19-15(22)2-1-3-16(19)23;2*21-16-10-18-19(26-11-23-18)9-15(16)12-5-7-13(8-6-12)24-20(25)14-3-1-2-4-17(14)22/h2-12H,1H3,(H,24,25);1-11H,(H,24,25);1-10H,(H,25,26);2*1-11H,(H,24,25)
InChIKeyBBOIFWQBFVVUNC-UHFFFAOYSA-N
XLogP28.52
TPSA275.65 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001864.38
LogP ≤ 528.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide;bis(N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide);N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-4-methylbenzamide;2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide with MolForge

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Related Compounds

N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide
CID 54596606
N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide
CID 54596607
4-(5-chloro-1,3-benzoxazol-6-yl)-N-[1-(2,6-difluorophenyl)ethenyl]aniline
CID 68210864
4-(5-chloro-1,3-benzoxazol-6-yl)-N-[1-(2-fluorophenyl)ethenyl]aniline
CID 68210870
2-Tert-butyl-5-chloro-1,3-benzoxazole;2-tert-butyl-6-chloro-1,3-benzoxazole;2-tert-butyl-5-chloro-6-(trifluoromethyl)-1,3-benzoxazole;2-tert-butyl-4,6-dichloro-1,3-benzoxazole;2-tert-butyl-5-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-methyl-1,3-benzoxazole
CID 161872409
N-[4-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]-2,2,2-trifluoroacetamide;6-chloro-2-[4-(4-fluorophenyl)phenyl]-1,3-benzoxazole;oxolane
CID 163665021
2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide
CID 54596166
4-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide
CID 54596605
N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-4-methylbenzamide
CID 89732915
N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide;ethane
CID 144275278
2-Tert-butyl-5-chloro-1,3-benzoxazole;2-tert-butyl-6-chloro-1,3-benzoxazole;2-tert-butyl-5-chloro-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-chloro-5-fluoro-1,3-benzoxazole;bis(2-tert-butyl-5-chloro-6-methyl-1,3-benzoxazole);2-tert-butyl-6-chloro-5-methyl-1,3-benzoxazole;2-tert-butyl-5,6-dichloro-1,3-benzoxazole;2-tert-butyl-5,6-difluoro-1,3-benzoxazole;2-tert-butyl-5-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole;2-tert-butyl-6-methyl-1,3-benzoxazole
CID 157449282
N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide;bis(N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide);N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide;2-chloro-N-[4-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)phenyl]benzamide;N-[4-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide;N-[4-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide
CID 157487009

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide;bis(N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide);N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-4-methylbenzamide;2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide?
The IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide;bis(N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide);N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-4-methylbenzamide;2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide (CID 157297978) is N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide;bis(N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide);N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-4-methylbenzamide;2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide;bis(N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide);N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-4-methylbenzamide;2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide;bis(N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide);N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-4-methylbenzamide;2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(-c3cc4ocnc4cc3Cl)cc2)cc1.O=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccccc1Cl.O=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccccc1F.O=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccccc1F.
What is the InChIKey of N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide;bis(N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide);N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-4-methylbenzamide;2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide?
The InChIKey is BBOIFWQBFVVUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2.C20H12Cl2N2O2.C20H11ClF2N2O2.2C20H12ClFN2O2/c1-13-2-4-15(5-3-13)21(25)24-16-8-6-14(7-9-16)17-10-20-19(11-18(17)22)23-12-26-20;21-16-4-2-1-3-14(16)20(25)24-13-7-5-12(6-8-13)15-9-19-18(10-17(15)22)23-11-26-19;21-14-9-17-18(27-10-24-17)8-13(14)11-4-6-12(7-5-11)25-20(26)19-15(22)2-1-3-16(19)23;2*21-16-10-18-19(26-11-23-18)9-15(16)12-5-7-13(8-6-12)24-20(25)14-3-1-2-4-17(14)22/h2-12H,1H3,(H,24,25);1-11H,(H,24,25);1-10H,(H,25,26);2*1-11H,(H,24,25).
What are the key properties of N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide;bis(N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide);N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-4-methylbenzamide;2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide?
N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide;bis(N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide);N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-4-methylbenzamide;2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide has a molecular weight of 1864.38 g/mol, XLogP of 28.52, 15 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide;bis(N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide);N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-4-methylbenzamide;2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide is sourced from PubChem (CID 157297978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).