4-[3-(2-chloro-5-fluorophenyl)-4-[[4-[3-(2-chloro-5-fluorophenyl)-4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl]-3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-2,3,6,7,8,9-hexahydropyrrolo[3,4-f]quinolin-8-yl]-N-[7-(2-chloro-5-fluorophenyl)-9-oxo-2,3,7,8-tetrahydro-1H-pyrrolo[3,4-f][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide

C74H44Cl3F15N8O8 — CID 174314559

IUPAC4-[3-(2-chloro-5-fluorophenyl)-4-[[4-[3-(2-chloro-5-fluorophenyl)-4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl]-3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-2,3,6,7,8,9-hexahydropyrrolo[3,4-f]quinolin-8-yl]-N-[7-(2-chloro-5-fluorophenyl)-9-oxo-2,3,7,8-tetrahydro-1H-pyrrolo[3,4-f][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc2c(c3c1C(c1cc(F)ccc1Cl)NC3=O)CC(c1c(F)cc(C(=O)Nc3cc4c(c5c3C(c3cc(F)ccc3Cl)NC5=O)NCCO4)cc1C(F)(F)F)CN2)c1cc(F)c(C2COc3cc(NC(=O)c4cc(F)cc(C(F)(F)F)c4)c4c(c3C2)C(=O)NC4c2cc(F)ccc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C74H44Cl3F15N8O8/c75-43-4-1-32(78)18-36(43)62-58-49(21-48-39(56(58)69(104)98-62)11-29(24-94-48)54-41(73(87,88)89)13-27(15-46(54)82)68(103)97-51-23-53-65(93-7-8-107-53)61-60(51)64(100-71(61)106)38-20-34(80)3-6-45(38)77)95-67(102)28-14-42(74(90,91)92)55(47(83)16-28)30-12-40-52(108-25-30)22-50(96-66(101)26-9-31(72(84,85)86)17-35(81)10-26)59-57(40)70(105)99-63(59)37-19-33(79)2-5-44(37)76/h1-6,9-10,13-23,29-30,62-64,93-94H,7-8,11-12,24-25H2,(H,95,102)(H,96,101)(H,97,103)(H,98,104)(H,99,105)(H,100,106)
InChIKeyPPGIJSPDOZOHDB-UHFFFAOYSA-N
MW1564.54 g/mol
LogP17.07
Rot. Bonds11

About 4-[3-(2-chloro-5-fluorophenyl)-4-[[4-[3-(2-chloro-5-fluorophenyl)-4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl]-3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-2,3,6,7,8,9-hexahydropyrrolo[3,4-f]quinolin-8-yl]-N-[7-(2-chloro-5-fluorophenyl)-9-oxo-2,3,7,8-tetrahydro-1H-pyrrolo[3,4-f][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide

4-[3-(2-chloro-5-fluorophenyl)-4-[[4-[3-(2-chloro-5-fluorophenyl)-4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl]-3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-2,3,6,7,8,9-hexahydropyrrolo[3,4-f]quinolin-8-yl]-N-[7-(2-chloro-5-fluorophenyl)-9-oxo-2,3,7,8-tetrahydro-1H-pyrrolo[3,4-f][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 174314559) has the molecular formula C74H44Cl3F15N8O8 and a molecular weight of 1564.54 g/mol. Its IUPAC name is 4-[3-(2-chloro-5-fluorophenyl)-4-[[4-[3-(2-chloro-5-fluorophenyl)-4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl]-3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-2,3,6,7,8,9-hexahydropyrrolo[3,4-f]quinolin-8-yl]-N-[7-(2-chloro-5-fluorophenyl)-9-oxo-2,3,7,8-tetrahydro-1H-pyrrolo[3,4-f][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[3-(2-chloro-5-fluorophenyl)-4-[[4-[3-(2-chloro-5-fluorophenyl)-4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl]-3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-2,3,6,7,8,9-hexahydropyrrolo[3,4-f]quinolin-8-yl]-N-[7-(2-chloro-5-fluorophenyl)-9-oxo-2,3,7,8-tetrahydro-1H-pyrrolo[3,4-f][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide
PubChem CID174314559
Molecular FormulaC74H44Cl3F15N8O8
Molecular Weight1564.54 g/mol
Exact Mass1562.21
IUPAC Name4-[3-(2-chloro-5-fluorophenyl)-4-[[4-[3-(2-chloro-5-fluorophenyl)-4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl]-3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-2,3,6,7,8,9-hexahydropyrrolo[3,4-f]quinolin-8-yl]-N-[7-(2-chloro-5-fluorophenyl)-9-oxo-2,3,7,8-tetrahydro-1H-pyrrolo[3,4-f][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc2c(c3c1C(c1cc(F)ccc1Cl)NC3=O)CC(c1c(F)cc(C(=O)Nc3cc4c(c5c3C(c3cc(F)ccc3Cl)NC5=O)NCCO4)cc1C(F)(F)F)CN2)c1cc(F)c(C2COc3cc(NC(=O)c4cc(F)cc(C(F)(F)F)c4)c4c(c3C2)C(=O)NC4c2cc(F)ccc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C74H44Cl3F15N8O8/c75-43-4-1-32(78)18-36(43)62-58-49(21-48-39(56(58)69(104)98-62)11-29(24-94-48)54-41(73(87,88)89)13-27(15-46(54)82)68(103)97-51-23-53-65(93-7-8-107-53)61-60(51)64(100-71(61)106)38-20-34(80)3-6-45(38)77)95-67(102)28-14-42(74(90,91)92)55(47(83)16-28)30-12-40-52(108-25-30)22-50(96-66(101)26-9-31(72(84,85)86)17-35(81)10-26)59-57(40)70(105)99-63(59)37-19-33(79)2-5-44(37)76/h1-6,9-10,13-23,29-30,62-64,93-94H,7-8,11-12,24-25H2,(H,95,102)(H,96,101)(H,97,103)(H,98,104)(H,99,105)(H,100,106)
InChIKeyPPGIJSPDOZOHDB-UHFFFAOYSA-N
XLogP17.07
TPSA217.12 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001564.54
LogP ≤ 517.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze 4-[3-(2-chloro-5-fluorophenyl)-4-[[4-[3-(2-chloro-5-fluorophenyl)-4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl]-3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-2,3,6,7,8,9-hexahydropyrrolo[3,4-f]quinolin-8-yl]-N-[7-(2-chloro-5-fluorophenyl)-9-oxo-2,3,7,8-tetrahydro-1H-pyrrolo[3,4-f][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[6-(2-chloro-5-fluorophenyl)-8-oxo-1,2,6,7-tetrahydropyrrolo[3,4-e][1,3]benzoxazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170750941
N-[7-(2-chloro-5-fluorophenyl)-9-oxo-3,4,7,8-tetrahydro-2H-pyrrolo[3,4-h][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170750895
N-[7-(2-chloro-5-fluorophenyl)-3,3-dideuterio-2,9-dioxo-7,8-dihydro-1H-pyrrolo[3,4-f][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 175994754
N-[(7R)-7-(2-chloro-5-fluorophenyl)-3,3-difluoro-2,9-dioxo-7,8-dihydro-1H-pyrrolo[3,4-f][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 174313016
N-[6-(2-chloro-5-fluorophenyl)-8-oxo-6,7-dihydro-[1,3]dioxolo[4,5-e]isoindol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170750860
N-[5-(2-chloro-5-fluorophenyl)-3-oxo-4-azatricyclo[7.6.0.02,6]pentadeca-1,6,8-trien-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170750966
N-[7-(2-chloro-5-fluorophenyl)-2,9-dioxo-3,4,7,8-tetrahydro-1H-pyrrolo[3,4-h]quinolin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 174313731
N-[7-chloro-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydrobenzo[e]isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170750022
N-[5-(2-chloro-5-fluorophenyl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 176619662
N-[(7R)-7-(2-chloro-5-fluorophenyl)-3,3,7-trideuterio-2,9-dioxo-1,8-dihydropyrrolo[3,4-f][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 175994656
N-[3-(2-chloro-5-fluorophenyl)-7-methyl-1,6-dioxo-2,3-dihydropyrrolo[3,4-f]isoquinolin-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170750035
N-[(3S)-3-(2-chloro-5-fluorophenyl)-6-cyano-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166822093

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chloro-5-fluorophenyl)-4-[[4-[3-(2-chloro-5-fluorophenyl)-4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl]-3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-2,3,6,7,8,9-hexahydropyrrolo[3,4-f]quinolin-8-yl]-N-[7-(2-chloro-5-fluorophenyl)-9-oxo-2,3,7,8-tetrahydro-1H-pyrrolo[3,4-f][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of 4-[3-(2-chloro-5-fluorophenyl)-4-[[4-[3-(2-chloro-5-fluorophenyl)-4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl]-3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-2,3,6,7,8,9-hexahydropyrrolo[3,4-f]quinolin-8-yl]-N-[7-(2-chloro-5-fluorophenyl)-9-oxo-2,3,7,8-tetrahydro-1H-pyrrolo[3,4-f][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide (CID 174314559) is 4-[3-(2-chloro-5-fluorophenyl)-4-[[4-[3-(2-chloro-5-fluorophenyl)-4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl]-3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-2,3,6,7,8,9-hexahydropyrrolo[3,4-f]quinolin-8-yl]-N-[7-(2-chloro-5-fluorophenyl)-9-oxo-2,3,7,8-tetrahydro-1H-pyrrolo[3,4-f][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[3-(2-chloro-5-fluorophenyl)-4-[[4-[3-(2-chloro-5-fluorophenyl)-4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl]-3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-2,3,6,7,8,9-hexahydropyrrolo[3,4-f]quinolin-8-yl]-N-[7-(2-chloro-5-fluorophenyl)-9-oxo-2,3,7,8-tetrahydro-1H-pyrrolo[3,4-f][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[3-(2-chloro-5-fluorophenyl)-4-[[4-[3-(2-chloro-5-fluorophenyl)-4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl]-3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-2,3,6,7,8,9-hexahydropyrrolo[3,4-f]quinolin-8-yl]-N-[7-(2-chloro-5-fluorophenyl)-9-oxo-2,3,7,8-tetrahydro-1H-pyrrolo[3,4-f][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide is O=C(Nc1cc2c(c3c1C(c1cc(F)ccc1Cl)NC3=O)CC(c1c(F)cc(C(=O)Nc3cc4c(c5c3C(c3cc(F)ccc3Cl)NC5=O)NCCO4)cc1C(F)(F)F)CN2)c1cc(F)c(C2COc3cc(NC(=O)c4cc(F)cc(C(F)(F)F)c4)c4c(c3C2)C(=O)NC4c2cc(F)ccc2Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-[3-(2-chloro-5-fluorophenyl)-4-[[4-[3-(2-chloro-5-fluorophenyl)-4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl]-3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-2,3,6,7,8,9-hexahydropyrrolo[3,4-f]quinolin-8-yl]-N-[7-(2-chloro-5-fluorophenyl)-9-oxo-2,3,7,8-tetrahydro-1H-pyrrolo[3,4-f][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is PPGIJSPDOZOHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H44Cl3F15N8O8/c75-43-4-1-32(78)18-36(43)62-58-49(21-48-39(56(58)69(104)98-62)11-29(24-94-48)54-41(73(87,88)89)13-27(15-46(54)82)68(103)97-51-23-53-65(93-7-8-107-53)61-60(51)64(100-71(61)106)38-20-34(80)3-6-45(38)77)95-67(102)28-14-42(74(90,91)92)55(47(83)16-28)30-12-40-52(108-25-30)22-50(96-66(101)26-9-31(72(84,85)86)17-35(81)10-26)59-57(40)70(105)99-63(59)37-19-33(79)2-5-44(37)76/h1-6,9-10,13-23,29-30,62-64,93-94H,7-8,11-12,24-25H2,(H,95,102)(H,96,101)(H,97,103)(H,98,104)(H,99,105)(H,100,106).
What are the key properties of 4-[3-(2-chloro-5-fluorophenyl)-4-[[4-[3-(2-chloro-5-fluorophenyl)-4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl]-3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-2,3,6,7,8,9-hexahydropyrrolo[3,4-f]quinolin-8-yl]-N-[7-(2-chloro-5-fluorophenyl)-9-oxo-2,3,7,8-tetrahydro-1H-pyrrolo[3,4-f][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
4-[3-(2-chloro-5-fluorophenyl)-4-[[4-[3-(2-chloro-5-fluorophenyl)-4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl]-3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-2,3,6,7,8,9-hexahydropyrrolo[3,4-f]quinolin-8-yl]-N-[7-(2-chloro-5-fluorophenyl)-9-oxo-2,3,7,8-tetrahydro-1H-pyrrolo[3,4-f][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 1564.54 g/mol, XLogP of 17.07, 11 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chloro-5-fluorophenyl)-4-[[4-[3-(2-chloro-5-fluorophenyl)-4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl]-3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-oxo-2,3,6,7,8,9-hexahydropyrrolo[3,4-f]quinolin-8-yl]-N-[7-(2-chloro-5-fluorophenyl)-9-oxo-2,3,7,8-tetrahydro-1H-pyrrolo[3,4-f][1,4]benzoxazin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 174314559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).