trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(3-methoxy-2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(2-oxopent-4-enyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[3-[3-(2,2-difluoropropoxy)-2-oxopropyl]-2,4-difluorophenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C90H62Cl9F20N3O11 — CID 157483223

About trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(3-methoxy-2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(2-oxopent-4-enyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[3-[3-(2,2-difluoropropoxy)-2-oxopropyl]-2,4-difluorophenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(3-methoxy-2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(2-oxopent-4-enyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[3-[3-(2,2-difluoropropoxy)-2-oxopropyl]-2,4-difluorophenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 157483223) has the molecular formula C90H62Cl9F20N3O11 and a molecular weight of 2060.53 g/mol. Its IUPAC name is trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(3-methoxy-2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(2-oxopent-4-enyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[3-[3-(2,2-difluoropropoxy)-2-oxopropyl]-2,4-difluorophenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(3-methoxy-2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(2-oxopent-4-enyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[3-[3-(2,2-difluoropropoxy)-2-oxopropyl]-2,4-difluorophenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
• PubChem CID: 157483223
• Molecular Formula: C90H62Cl9F20N3O11
• Molecular Weight: 2060.53 g/mol
• Exact Mass: 2055.13
• IUPAC Name: trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(3-methoxy-2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(2-oxopent-4-enyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[3-[3-(2,2-difluoropropoxy)-2-oxopropyl]-2,4-difluorophenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
• SMILES: C=CCC(=O)Cc1c(F)ccc(CC(=O)c2cc(NC(=O)[C@H]3[C@H](c4ccc(F)c(C(F)(F)F)c4)C3(Cl)Cl)ccc2Cl)c1F.CC(F)(F)COCC(=O)Cc1c(F)ccc(CC(=O)c2cc(NC(=O)[C@H]3[C@H](c4ccc(F)c(C(F)(F)F)c4)C3(Cl)Cl)ccc2Cl)c1F.COCC(=O)Cc1c(F)ccc(CC(=O)c2cc(NC(=O)[C@H]3[C@H](c4ccc(F)c(C(F)(F)F)c4)C3(Cl)Cl)ccc2Cl)c1F
• InChI: InChI=1S/C31H22Cl3F8NO4.C30H20Cl3F6NO3.C29H20Cl3F6NO4/c1-29(38,39)13-47-12-17(44)11-19-22(35)6-3-15(27(19)37)9-24(45)18-10-16(4-5-21(18)32)43-28(46)26-25(30(26,33)34)14-2-7-23(36)20(8-14)31(40,41)42;1-2-3-17(41)13-19-22(34)8-5-15(27(19)36)11-24(42)18-12-16(6-7-21(18)31)40-28(43)26-25(29(26,32)33)14-4-9-23(35)20(10-14)30(37,38)39;1-43-12-16(40)11-18-21(33)6-3-14(26(18)35)9-23(41)17-10-15(4-5-20(17)30)39-27(42)25-24(28(25,31)32)13-2-7-22(34)19(8-13)29(36,37)38/h2-8,10,25-26H,9,11-13H2,1H3,(H,43,46);2,4-10,12,25-26H,1,3,11,13H2,(H,40,43);2-8,10,24-25H,9,11-12H2,1H3,(H,39,42)/t2*25-,26+;24-,25+/m000/s1
• InChIKey: BWKANPPACFQZCF-AFANQYJUSA-N
• XLogP: 24.41
• TPSA: 208.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 32
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2060.53
LogP ≤ 5	24.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(3-methoxy-2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(2-oxopent-4-enyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[3-[3-(2,2-difluoropropoxy)-2-oxopropyl]-2,4-difluorophenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?

The IUPAC name of trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(3-methoxy-2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(2-oxopent-4-enyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[3-[3-(2,2-difluoropropoxy)-2-oxopropyl]-2,4-difluorophenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 157483223) is trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(3-methoxy-2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(2-oxopent-4-enyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[3-[3-(2,2-difluoropropoxy)-2-oxopropyl]-2,4-difluorophenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(3-methoxy-2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(2-oxopent-4-enyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[3-[3-(2,2-difluoropropoxy)-2-oxopropyl]-2,4-difluorophenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(3-methoxy-2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(2-oxopent-4-enyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[3-[3-(2,2-difluoropropoxy)-2-oxopropyl]-2,4-difluorophenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is C=CCC(=O)Cc1c(F)ccc(CC(=O)c2cc(NC(=O)[C@H]3[C@H](c4ccc(F)c(C(F)(F)F)c4)C3(Cl)Cl)ccc2Cl)c1F.CC(F)(F)COCC(=O)Cc1c(F)ccc(CC(=O)c2cc(NC(=O)[C@H]3[C@H](c4ccc(F)c(C(F)(F)F)c4)C3(Cl)Cl)ccc2Cl)c1F.COCC(=O)Cc1c(F)ccc(CC(=O)c2cc(NC(=O)[C@H]3[C@H](c4ccc(F)c(C(F)(F)F)c4)C3(Cl)Cl)ccc2Cl)c1F.

What is the InChIKey of trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(3-methoxy-2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(2-oxopent-4-enyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[3-[3-(2,2-difluoropropoxy)-2-oxopropyl]-2,4-difluorophenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?

The InChIKey is BWKANPPACFQZCF-AFANQYJUSA-N. The full InChI is InChI=1S/C31H22Cl3F8NO4.C30H20Cl3F6NO3.C29H20Cl3F6NO4/c1-29(38,39)13-47-12-17(44)11-19-22(35)6-3-15(27(19)37)9-24(45)18-10-16(4-5-21(18)32)43-28(46)26-25(30(26,33)34)14-2-7-23(36)20(8-14)31(40,41)42;1-2-3-17(41)13-19-22(34)8-5-15(27(19)36)11-24(42)18-12-16(6-7-21(18)31)40-28(43)26-25(29(26,32)33)14-4-9-23(35)20(10-14)30(37,38)39;1-43-12-16(40)11-18-21(33)6-3-14(26(18)35)9-23(41)17-10-15(4-5-20(17)30)39-27(42)25-24(28(25,31)32)13-2-7-22(34)19(8-13)29(36,37)38/h2-8,10,25-26H,9,11-13H2,1H3,(H,43,46);2,4-10,12,25-26H,1,3,11,13H2,(H,40,43);2-8,10,24-25H,9,11-12H2,1H3,(H,39,42)/t2*25-,26+;24-,25+/m000/s1.

What are the key properties of trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(3-methoxy-2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(2-oxopent-4-enyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[3-[3-(2,2-difluoropropoxy)-2-oxopropyl]-2,4-difluorophenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?

trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(3-methoxy-2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(2-oxopent-4-enyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[3-[3-(2,2-difluoropropoxy)-2-oxopropyl]-2,4-difluorophenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 2060.53 g/mol, XLogP of 24.41, 32 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(3-methoxy-2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[2,4-difluoro-3-(2-oxopent-4-enyl)phenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[3-[3-(2,2-difluoropropoxy)-2-oxopropyl]-2,4-difluorophenyl]acetyl]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 157483223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).