5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide

C96H81ClF6N12O11 — CID 159755322

IUPAC5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
SMILESC.C.CC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.COc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(C(F)(F)F)c3)c2)c1.O=C(Nc1cccc(Oc2cccnc2)c1)c1cc(Cl)ccc1F
InChIInChI=1S/C20H15F3N2O2.C20H16F2N2O2.C18H12ClFN2O2.C18H15N3O3.C18H15N3O2.2CH4/c1-13-4-2-5-14(8-13)19(26)25-16-6-3-7-17(10-16)27-18-9-15(11-24-12-18)20(21,22)23;1-20(21,22)15-6-2-5-14(11-15)19(25)24-16-7-3-8-17(12-16)26-18-9-4-10-23-13-18;19-12-6-7-17(20)16(9-12)18(23)22-13-3-1-4-14(10-13)24-15-5-2-8-21-11-15;1-23-17-9-3-8-16(21-17)18(22)20-13-5-2-6-14(11-13)24-15-7-4-10-19-12-15;1-13-5-2-9-17(20-13)18(22)21-14-6-3-7-15(11-14)23-16-8-4-10-19-12-16;;/h2-12H,1H3,(H,25,26);2-13H,1H3,(H,24,25);1-11H,(H,22,23);2-12H,1H3,(H,20,22);2-12H,1H3,(H,21,22);2*1H4
InChIKeyNEEJZCAOKHEQPN-UHFFFAOYSA-N
MW1728.22 g/mol
LogP24.24
Rot. Bonds22

About 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide

5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide (PubChem CID 159755322) has the molecular formula C96H81ClF6N12O11 and a molecular weight of 1728.22 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
PubChem CID159755322
Molecular FormulaC96H81ClF6N12O11
Molecular Weight1728.22 g/mol
Exact Mass1726.57
IUPAC Name5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
SMILESC.C.CC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.COc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(C(F)(F)F)c3)c2)c1.O=C(Nc1cccc(Oc2cccnc2)c1)c1cc(Cl)ccc1F
InChIInChI=1S/C20H15F3N2O2.C20H16F2N2O2.C18H12ClFN2O2.C18H15N3O3.C18H15N3O2.2CH4/c1-13-4-2-5-14(8-13)19(26)25-16-6-3-7-17(10-16)27-18-9-15(11-24-12-18)20(21,22)23;1-20(21,22)15-6-2-5-14(11-15)19(25)24-16-7-3-8-17(12-16)26-18-9-4-10-23-13-18;19-12-6-7-17(20)16(9-12)18(23)22-13-3-1-4-14(10-13)24-15-5-2-8-21-11-15;1-23-17-9-3-8-16(21-17)18(22)20-13-5-2-6-14(11-13)24-15-7-4-10-19-12-15;1-13-5-2-9-17(20-13)18(22)21-14-6-3-7-15(11-14)23-16-8-4-10-19-12-16;;/h2-12H,1H3,(H,25,26);2-13H,1H3,(H,24,25);1-11H,(H,22,23);2-12H,1H3,(H,20,22);2-12H,1H3,(H,21,22);2*1H4
InChIKeyNEEJZCAOKHEQPN-UHFFFAOYSA-N
XLogP24.24
TPSA291.11 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001728.22
LogP ≤ 524.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

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Related Compounds

3-[4-[(5-Chloro-2-fluorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide;3-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 87273458
3-chloro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[4-fluoro-3-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89714018
4-chloro-N-[3-fluoro-4-[3-(2-hydroxyethoxy)quinoxalin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[3-fluoro-4-(3-methoxyquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-3-(trifluoromethyl)-N-(2,3,5-trifluoro-4-quinoxalin-6-yloxyphenyl)benzamide
CID 89714100
3-chloro-N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89714434
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 123219772
4-fluoro-N-[4-[4-[1-[4-[(4-fluorobenzoyl)amino]-4-[4-[1-[4-[(4-fluorobenzoyl)amino]-4-[4-(4-methyl-3-pyridinyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-8-yl]-2-methoxypyridin-1-ium-3-yl]phenyl]-2,3-dihydropyrano[3,2-b]pyridin-8-yl]-4-methoxypyridin-1-ium-3-yl]phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
CID 123229581
N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide
CID 123258970
6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
CID 123268019
3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
CID 123346357
N-[(1R)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;2-[3-[(1S)-1-(5-chloro-2-pyridinyl)-1-[[3-(1,1-difluoroethyl)-4-fluorobenzoyl]amino]-2-phenylethyl]-5-fluorophenoxy]acetic acid;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-(3-fluoro-5-hydroxyphenyl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-(3-fluoro-5-methoxyphenyl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123365881
N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-ethynylbenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
CID 123486701
N-[3-[[5-[3-bromo-5-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]carbamoyl]phenyl]-3-pyridinyl]oxy]-5-chlorophenyl]-6-methylpyridine-2-carboxamide
CID 123555427

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide (CID 159755322) is 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide is C.C.CC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.COc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(C(F)(F)F)c3)c2)c1.O=C(Nc1cccc(Oc2cccnc2)c1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
The InChIKey is NEEJZCAOKHEQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2.C20H16F2N2O2.C18H12ClFN2O2.C18H15N3O3.C18H15N3O2.2CH4/c1-13-4-2-5-14(8-13)19(26)25-16-6-3-7-17(10-16)27-18-9-15(11-24-12-18)20(21,22)23;1-20(21,22)15-6-2-5-14(11-15)19(25)24-16-7-3-8-17(12-16)26-18-9-4-10-23-13-18;19-12-6-7-17(20)16(9-12)18(23)22-13-3-1-4-14(10-13)24-15-5-2-8-21-11-15;1-23-17-9-3-8-16(21-17)18(22)20-13-5-2-6-14(11-13)24-15-7-4-10-19-12-15;1-13-5-2-9-17(20-13)18(22)21-14-6-3-7-15(11-14)23-16-8-4-10-19-12-16;;/h2-12H,1H3,(H,25,26);2-13H,1H3,(H,24,25);1-11H,(H,22,23);2-12H,1H3,(H,20,22);2-12H,1H3,(H,21,22);2*1H4.
What are the key properties of 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide has a molecular weight of 1728.22 g/mol, XLogP of 24.24, 22 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide is sourced from PubChem (CID 159755322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).