3-chloro-2-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)benzamide;2,2-difluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide;4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide

C64H41ClF9N15O9 — CID 161399818

IUPAC3-chloro-2-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)benzamide;2,2-difluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide;4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2n[nH]c(-c3ccc(Oc4cccnc4)cc3)n2)cc1C(F)(F)F.O=C(Nc1n[nH]c(-c2ccc(Oc3cccnc3)cc2)n1)c1cc(C(F)(F)F)cc(Cl)c1F.O=C(Nc1n[nH]c(-c2ccc(Oc3cccnc3)cc2)n1)c1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C22H16F3N5O3.C21H12ClF4N5O2.C21H13F2N5O4/c1-32-18-9-6-14(11-17(18)22(23,24)25)20(31)28-21-27-19(29-30-21)13-4-7-15(8-5-13)33-16-3-2-10-26-12-16;22-16-9-12(21(24,25)26)8-15(17(16)23)19(32)29-20-28-18(30-31-20)11-3-5-13(6-4-11)33-14-2-1-7-27-10-14;22-21(23)31-16-8-5-13(10-17(16)32-21)19(29)26-20-25-18(27-28-20)12-3-6-14(7-4-12)30-15-2-1-9-24-11-15/h2-12H,1H3,(H2,27,28,29,30,31);1-10H,(H2,28,29,30,31,32);1-11H,(H2,25,26,27,28,29)
InChIKeyVUBVZUJQBJIZCU-UHFFFAOYSA-N
MW1370.56 g/mol
LogP14.89
Rot. Bonds16

About 3-chloro-2-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)benzamide;2,2-difluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide;4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide

3-chloro-2-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)benzamide;2,2-difluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide;4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide (PubChem CID 161399818) has the molecular formula C64H41ClF9N15O9 and a molecular weight of 1370.56 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)benzamide;2,2-difluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide;4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)benzamide;2,2-difluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide;4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide
PubChem CID161399818
Molecular FormulaC64H41ClF9N15O9
Molecular Weight1370.56 g/mol
Exact Mass1369.28
IUPAC Name3-chloro-2-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)benzamide;2,2-difluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide;4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2n[nH]c(-c3ccc(Oc4cccnc4)cc3)n2)cc1C(F)(F)F.O=C(Nc1n[nH]c(-c2ccc(Oc3cccnc3)cc2)n1)c1cc(C(F)(F)F)cc(Cl)c1F.O=C(Nc1n[nH]c(-c2ccc(Oc3cccnc3)cc2)n1)c1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C22H16F3N5O3.C21H12ClF4N5O2.C21H13F2N5O4/c1-32-18-9-6-14(11-17(18)22(23,24)25)20(31)28-21-27-19(29-30-21)13-4-7-15(8-5-13)33-16-3-2-10-26-12-16;22-16-9-12(21(24,25)26)8-15(17(16)23)19(32)29-20-28-18(30-31-20)11-3-5-13(6-4-11)33-14-2-1-7-27-10-14;22-21(23)31-16-8-5-13(10-17(16)32-21)19(29)26-20-25-18(27-28-20)12-3-6-14(7-4-12)30-15-2-1-9-24-11-15/h2-12H,1H3,(H2,27,28,29,30,31);1-10H,(H2,28,29,30,31,32);1-11H,(H2,25,26,27,28,29)
InChIKeyVUBVZUJQBJIZCU-UHFFFAOYSA-N
XLogP14.89
TPSA306.06 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001370.56
LogP ≤ 514.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 3-chloro-2-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)benzamide;2,2-difluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide;4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

4-bromo-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide;4-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethoxy)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(trifluoromethoxy)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide
CID 159218553
3-chloro-2-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)benzamide;2,2-difluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 160243200
4-bromo-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide;3-chloro-2-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)benzamide;2,2-difluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide;4-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethoxy)benzamide
CID 161291807
4-bromo-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide;3-chloro-2-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)benzamide;2,2-difluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide;4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide
CID 161518544

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)benzamide;2,2-difluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide;4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 3-chloro-2-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)benzamide;2,2-difluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide;4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide (CID 161399818) is 3-chloro-2-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)benzamide;2,2-difluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide;4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)benzamide;2,2-difluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide;4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 3-chloro-2-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)benzamide;2,2-difluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide;4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide is COc1ccc(C(=O)Nc2n[nH]c(-c3ccc(Oc4cccnc4)cc3)n2)cc1C(F)(F)F.O=C(Nc1n[nH]c(-c2ccc(Oc3cccnc3)cc2)n1)c1cc(C(F)(F)F)cc(Cl)c1F.O=C(Nc1n[nH]c(-c2ccc(Oc3cccnc3)cc2)n1)c1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 3-chloro-2-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)benzamide;2,2-difluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide;4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is VUBVZUJQBJIZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O3.C21H12ClF4N5O2.C21H13F2N5O4/c1-32-18-9-6-14(11-17(18)22(23,24)25)20(31)28-21-27-19(29-30-21)13-4-7-15(8-5-13)33-16-3-2-10-26-12-16;22-16-9-12(21(24,25)26)8-15(17(16)23)19(32)29-20-28-18(30-31-20)11-3-5-13(6-4-11)33-14-2-1-7-27-10-14;22-21(23)31-16-8-5-13(10-17(16)32-21)19(29)26-20-25-18(27-28-20)12-3-6-14(7-4-12)30-15-2-1-9-24-11-15/h2-12H,1H3,(H2,27,28,29,30,31);1-10H,(H2,28,29,30,31,32);1-11H,(H2,25,26,27,28,29).
What are the key properties of 3-chloro-2-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)benzamide;2,2-difluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide;4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide?
3-chloro-2-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)benzamide;2,2-difluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide;4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1370.56 g/mol, XLogP of 14.89, 16 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)benzamide;2,2-difluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide;4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 161399818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).