3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide

C60H44F10N6O9 — CID 161110601

IUPAC3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(F)nc1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cccnc1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccncc1
InChIInChI=1S/C20H14F4N2O3.2C20H15F3N2O3/c1-28-17-8-2-12(10-16(17)13-3-9-18(21)25-11-13)19(27)26-14-4-6-15(7-5-14)29-20(22,23)24;1-27-18-7-2-14(12-17(18)13-8-10-24-11-9-13)19(26)25-15-3-5-16(6-4-15)28-20(21,22)23;1-27-18-9-4-13(11-17(18)14-3-2-10-24-12-14)19(26)25-15-5-7-16(8-6-15)28-20(21,22)23/h2-11H,1H3,(H,26,27);2*2-12H,1H3,(H,25,26)
InChIKeyUJQIBMQOEPEJSC-UHFFFAOYSA-N
MW1183.02 g/mol
LogP14.86
Rot. Bonds15

About 3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide

3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 161110601) has the molecular formula C60H44F10N6O9 and a molecular weight of 1183.02 g/mol. Its IUPAC name is 3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID161110601
Molecular FormulaC60H44F10N6O9
Molecular Weight1183.02 g/mol
Exact Mass1182.30
IUPAC Name3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(F)nc1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cccnc1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccncc1
InChIInChI=1S/C20H14F4N2O3.2C20H15F3N2O3/c1-28-17-8-2-12(10-16(17)13-3-9-18(21)25-11-13)19(27)26-14-4-6-15(7-5-14)29-20(22,23)24;1-27-18-7-2-14(12-17(18)13-8-10-24-11-9-13)19(26)25-15-3-5-16(6-4-15)28-20(21,22)23;1-27-18-9-4-13(11-17(18)14-3-2-10-24-12-14)19(26)25-15-5-7-16(8-6-15)28-20(21,22)23/h2-11H,1H3,(H,26,27);2*2-12H,1H3,(H,25,26)
InChIKeyUJQIBMQOEPEJSC-UHFFFAOYSA-N
XLogP14.86
TPSA181.35 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001183.02
LogP ≤ 514.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 161110601) is 3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(F)nc1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cccnc1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccncc1.
What is the InChIKey of 3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is UJQIBMQOEPEJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O3.2C20H15F3N2O3/c1-28-17-8-2-12(10-16(17)13-3-9-18(21)25-11-13)19(27)26-14-4-6-15(7-5-14)29-20(22,23)24;1-27-18-7-2-14(12-17(18)13-8-10-24-11-9-13)19(26)25-15-3-5-16(6-4-15)28-20(21,22)23;1-27-18-9-4-13(11-17(18)14-3-2-10-24-12-14)19(26)25-15-5-7-16(8-6-15)28-20(21,22)23/h2-11H,1H3,(H,26,27);2*2-12H,1H3,(H,25,26).
What are the key properties of 3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 1183.02 g/mol, XLogP of 14.86, 15 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 161110601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).