N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylthiadiazole-5-carboxamide

C116H65BrCl6F15N9O18S — CID 160558522

IUPACN-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cc1)c1ccccc1F.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1ccccc1Cl.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1ccccc1F.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1ccncc1F
InChIInChI=1S/C20H13BrFNO3.C20H11Cl2F2NO3.C20H10ClF4NO3.C20H11ClF3NO3.C19H10ClF3N2O3.C17H10ClF2N3O3S/c21-16-10-19-18(25-11-26-19)9-15(16)12-5-7-13(8-6-12)23-20(24)14-3-1-2-4-17(14)22;21-15-4-2-1-3-13(15)19(26)25-12-7-5-11(6-8-12)14-9-17-18(10-16(14)22)28-20(23,24)27-17;21-13-9-17-16(28-20(24,25)29-17)8-12(13)10-4-6-11(7-5-10)26-19(27)18-14(22)2-1-3-15(18)23;21-15-10-18-17(27-20(23,24)28-18)9-14(15)11-5-7-12(8-6-11)25-19(26)13-3-1-2-4-16(13)22;20-14-8-17-16(27-19(22,23)28-17)7-13(14)10-1-3-11(4-2-10)25-18(26)12-5-6-24-9-15(12)21;1-8-15(27-23-22-8)16(24)21-10-4-2-9(3-5-10)11-6-13-14(7-12(11)18)26-17(19,20)25-13/h1-10H,11H2,(H,23,24);1-10H,(H,25,26);1-9H,(H,26,27);1-10H,(H,25,26);1-9H,(H,25,26);2-7H,1H3,(H,21,24)
InChIKeyQYZRTZFDXRORAA-UHFFFAOYSA-N
MW2482.50 g/mol
LogP32.90
Rot. Bonds18

About N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylthiadiazole-5-carboxamide

N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 160558522) has the molecular formula C116H65BrCl6F15N9O18S and a molecular weight of 2482.50 g/mol. Its IUPAC name is N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylthiadiazole-5-carboxamide
PubChem CID160558522
Molecular FormulaC116H65BrCl6F15N9O18S
Molecular Weight2482.50 g/mol
Exact Mass2477.12
IUPAC NameN-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cc1)c1ccccc1F.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1ccccc1Cl.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1ccccc1F.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1ccncc1F
InChIInChI=1S/C20H13BrFNO3.C20H11Cl2F2NO3.C20H10ClF4NO3.C20H11ClF3NO3.C19H10ClF3N2O3.C17H10ClF2N3O3S/c21-16-10-19-18(25-11-26-19)9-15(16)12-5-7-13(8-6-12)23-20(24)14-3-1-2-4-17(14)22;21-15-4-2-1-3-13(15)19(26)25-12-7-5-11(6-8-12)14-9-17-18(10-16(14)22)28-20(23,24)27-17;21-13-9-17-16(28-20(24,25)29-17)8-12(13)10-4-6-11(7-5-10)26-19(27)18-14(22)2-1-3-15(18)23;21-15-10-18-17(27-20(23,24)28-18)9-14(15)11-5-7-12(8-6-11)25-19(26)13-3-1-2-4-16(13)22;20-14-8-17-16(27-19(22,23)28-17)7-13(14)10-1-3-11(4-2-10)25-18(26)12-5-6-24-9-15(12)21;1-8-15(27-23-22-8)16(24)21-10-4-2-9(3-5-10)11-6-13-14(7-12(11)18)26-17(19,20)25-13/h1-10H,11H2,(H,23,24);1-10H,(H,25,26);1-9H,(H,26,27);1-10H,(H,25,26);1-9H,(H,25,26);2-7H,1H3,(H,21,24)
InChIKeyQYZRTZFDXRORAA-UHFFFAOYSA-N
XLogP32.90
TPSA324.03 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms166
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002482.50
LogP ≤ 532.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylthiadiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylthiadiazole-5-carboxamide (CID 160558522) is N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cc1)c1ccccc1F.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1ccccc1Cl.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1ccccc1F.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1ccncc1F.
What is the InChIKey of N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is QYZRTZFDXRORAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrFNO3.C20H11Cl2F2NO3.C20H10ClF4NO3.C20H11ClF3NO3.C19H10ClF3N2O3.C17H10ClF2N3O3S/c21-16-10-19-18(25-11-26-19)9-15(16)12-5-7-13(8-6-12)23-20(24)14-3-1-2-4-17(14)22;21-15-4-2-1-3-13(15)19(26)25-12-7-5-11(6-8-12)14-9-17-18(10-16(14)22)28-20(23,24)27-17;21-13-9-17-16(28-20(24,25)29-17)8-12(13)10-4-6-11(7-5-10)26-19(27)18-14(22)2-1-3-15(18)23;21-15-10-18-17(27-20(23,24)28-18)9-14(15)11-5-7-12(8-6-11)25-19(26)13-3-1-2-4-16(13)22;20-14-8-17-16(27-19(22,23)28-17)7-13(14)10-1-3-11(4-2-10)25-18(26)12-5-6-24-9-15(12)21;1-8-15(27-23-22-8)16(24)21-10-4-2-9(3-5-10)11-6-13-14(7-12(11)18)26-17(19,20)25-13/h1-10H,11H2,(H,23,24);1-10H,(H,25,26);1-9H,(H,26,27);1-10H,(H,25,26);1-9H,(H,25,26);2-7H,1H3,(H,21,24).
What are the key properties of N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylthiadiazole-5-carboxamide?
N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 2482.50 g/mol, XLogP of 32.90, 18 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 160558522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).