3-(1,1-difluoroethyl)-4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide

C117H80F34N8O7 — CID 157433681

IUPAC3-(1,1-difluoroethyl)-4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(C)(F)F)c2)c2cc(F)cc(C(F)(F)F)c2)nc1.COc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(F)cc(C(F)(F)F)c2)cn1.COc1cccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(F)cc(C(F)(F)F)c2)n1.O=C(NC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C30H23F7N2O2.C29H17F11N2O.2C29H20F8N2O2/c1-28(33,34)24-12-19(8-10-25(24)32)27(40)39-29(16-18-6-4-3-5-7-18,26-11-9-23(41-2)17-38-26)20-13-21(30(35,36)37)15-22(31)14-20;30-21-12-19(11-20(13-21)28(35,36)37)26(15-16-4-2-1-3-5-16,24-14-18(8-9-41-24)27(32,33)34)42-25(43)17-6-7-23(31)22(10-17)29(38,39)40;1-41-25-9-5-8-24(38-25)27(16-17-6-3-2-4-7-17,19-13-20(28(32,33)34)15-21(30)14-19)39-26(40)18-10-11-23(31)22(12-18)29(35,36)37;1-41-25-10-8-19(16-38-25)27(15-17-5-3-2-4-6-17,20-12-21(28(32,33)34)14-22(30)13-20)39-26(40)18-7-9-24(31)23(11-18)29(35,36)37/h3-15,17H,16H2,1-2H3,(H,39,40);1-14H,15H2,(H,42,43);2-15H,16H2,1H3,(H,39,40);2-14,16H,15H2,1H3,(H,39,40)
InChIKeyBQVOZSGGGHRQPV-UHFFFAOYSA-N
MW2355.91 g/mol
LogP30.39
Rot. Bonds28

About 3-(1,1-difluoroethyl)-4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide

3-(1,1-difluoroethyl)-4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 157433681) has the molecular formula C117H80F34N8O7 and a molecular weight of 2355.91 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide
PubChem CID157433681
Molecular FormulaC117H80F34N8O7
Molecular Weight2355.91 g/mol
Exact Mass2354.56
IUPAC Name3-(1,1-difluoroethyl)-4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(C)(F)F)c2)c2cc(F)cc(C(F)(F)F)c2)nc1.COc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(F)cc(C(F)(F)F)c2)cn1.COc1cccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(F)cc(C(F)(F)F)c2)n1.O=C(NC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C30H23F7N2O2.C29H17F11N2O.2C29H20F8N2O2/c1-28(33,34)24-12-19(8-10-25(24)32)27(40)39-29(16-18-6-4-3-5-7-18,26-11-9-23(41-2)17-38-26)20-13-21(30(35,36)37)15-22(31)14-20;30-21-12-19(11-20(13-21)28(35,36)37)26(15-16-4-2-1-3-5-16,24-14-18(8-9-41-24)27(32,33)34)42-25(43)17-6-7-23(31)22(10-17)29(38,39)40;1-41-25-9-5-8-24(38-25)27(16-17-6-3-2-4-7-17,19-13-20(28(32,33)34)15-21(30)14-19)39-26(40)18-10-11-23(31)22(12-18)29(35,36)37;1-41-25-10-8-19(16-38-25)27(15-17-5-3-2-4-6-17,20-12-21(28(32,33)34)14-22(30)13-20)39-26(40)18-7-9-24(31)23(11-18)29(35,36)37/h3-15,17H,16H2,1-2H3,(H,39,40);1-14H,15H2,(H,42,43);2-15H,16H2,1H3,(H,39,40);2-14,16H,15H2,1H3,(H,39,40)
InChIKeyBQVOZSGGGHRQPV-UHFFFAOYSA-N
XLogP30.39
TPSA195.65 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002355.91
LogP ≤ 530.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 3-(1,1-difluoroethyl)-4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-(2-methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide
CID 90408826
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 45375925
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-phenylpyridine-4-carboxamide
CID 46190694
N-[5-(6-methoxy-5-morpholin-4-ylpyridin-3-yl)-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90408582
N-[5-[6-[(3R,4S)-3-fluorooxan-4-yl]oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609669
N-[5-[6-(4-deuteriooxan-4-yl)oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 118870913
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 46191662
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide
CID 46191726
N-[5-[6-(difluoromethoxy)-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609550
N-[5-[6-(3-fluorooxan-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 123939863
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyridin-2-ylpyridine-4-carboxamide
CID 118715609
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-fluoro-3-pyridinyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 118715611

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 3-(1,1-difluoroethyl)-4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide (CID 157433681) is 3-(1,1-difluoroethyl)-4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(1,1-difluoroethyl)-4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(1,1-difluoroethyl)-4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide is COc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(C)(F)F)c2)c2cc(F)cc(C(F)(F)F)c2)nc1.COc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(F)cc(C(F)(F)F)c2)cn1.COc1cccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(F)cc(C(F)(F)F)c2)n1.O=C(NC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 3-(1,1-difluoroethyl)-4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is BQVOZSGGGHRQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F7N2O2.C29H17F11N2O.2C29H20F8N2O2/c1-28(33,34)24-12-19(8-10-25(24)32)27(40)39-29(16-18-6-4-3-5-7-18,26-11-9-23(41-2)17-38-26)20-13-21(30(35,36)37)15-22(31)14-20;30-21-12-19(11-20(13-21)28(35,36)37)26(15-16-4-2-1-3-5-16,24-14-18(8-9-41-24)27(32,33)34)42-25(43)17-6-7-23(31)22(10-17)29(38,39)40;1-41-25-9-5-8-24(38-25)27(16-17-6-3-2-4-7-17,19-13-20(28(32,33)34)15-21(30)14-19)39-26(40)18-10-11-23(31)22(12-18)29(35,36)37;1-41-25-10-8-19(16-38-25)27(15-17-5-3-2-4-6-17,20-12-21(28(32,33)34)14-22(30)13-20)39-26(40)18-7-9-24(31)23(11-18)29(35,36)37/h3-15,17H,16H2,1-2H3,(H,39,40);1-14H,15H2,(H,42,43);2-15H,16H2,1H3,(H,39,40);2-14,16H,15H2,1H3,(H,39,40).
What are the key properties of 3-(1,1-difluoroethyl)-4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide?
3-(1,1-difluoroethyl)-4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 2355.91 g/mol, XLogP of 30.39, 28 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 157433681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).