trans-(1R,3R)-2,2-dichloro-N-[3-[2-[2,4-difluoro-3-(3,3,3-trifluoro-2-oxopropyl)phenyl]acetyl]-4-fluorophenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C28H15Cl2F10NO3 — CID 157246081

About trans-(1R,3R)-2,2-dichloro-N-[3-[2-[2,4-difluoro-3-(3,3,3-trifluoro-2-oxopropyl)phenyl]acetyl]-4-fluorophenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

trans-(1R,3R)-2,2-dichloro-N-[3-[2-[2,4-difluoro-3-(3,3,3-trifluoro-2-oxopropyl)phenyl]acetyl]-4-fluorophenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 157246081) has the molecular formula C28H15Cl2F10NO3 and a molecular weight of 674.32 g/mol. Its IUPAC name is trans-(1R,3R)-2,2-dichloro-N-[3-[2-[2,4-difluoro-3-(3,3,3-trifluoro-2-oxopropyl)phenyl]acetyl]-4-fluorophenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,3R)-2,2-dichloro-N-[3-[2-[2,4-difluoro-3-(3,3,3-trifluoro-2-oxopropyl)phenyl]acetyl]-4-fluorophenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
• PubChem CID: 157246081
• Molecular Formula: C28H15Cl2F10NO3
• Molecular Weight: 674.32 g/mol
• Exact Mass: 673.03
• IUPAC Name: trans-(1R,3R)-2,2-dichloro-N-[3-[2-[2,4-difluoro-3-(3,3,3-trifluoro-2-oxopropyl)phenyl]acetyl]-4-fluorophenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
• SMILES: O=C(Cc1ccc(F)c(CC(=O)C(F)(F)F)c1F)c1cc(NC(=O)[C@H]2[C@H](c3ccc(F)c(C(F)(F)F)c3)C2(Cl)Cl)ccc1F
• InChI: InChI=1S/C28H15Cl2F10NO3/c29-26(30)22(11-1-5-19(33)16(7-11)27(35,36)37)23(26)25(44)41-13-3-6-17(31)14(9-13)20(42)8-12-2-4-18(32)15(24(12)34)10-21(43)28(38,39)40/h1-7,9,22-23H,8,10H2,(H,41,44)/t22-,23+/m0/s1
• InChIKey: AVTYYCZJHLLFOO-XZOQPEGZSA-N
• XLogP: 7.89
• TPSA: 63.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.32
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-2,2-dichloro-N-[3-[2-[2,4-difluoro-3-(3,3,3-trifluoro-2-oxopropyl)phenyl]acetyl]-4-fluorophenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?

The IUPAC name of trans-(1R,3R)-2,2-dichloro-N-[3-[2-[2,4-difluoro-3-(3,3,3-trifluoro-2-oxopropyl)phenyl]acetyl]-4-fluorophenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 157246081) is trans-(1R,3R)-2,2-dichloro-N-[3-[2-[2,4-difluoro-3-(3,3,3-trifluoro-2-oxopropyl)phenyl]acetyl]-4-fluorophenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1R,3R)-2,2-dichloro-N-[3-[2-[2,4-difluoro-3-(3,3,3-trifluoro-2-oxopropyl)phenyl]acetyl]-4-fluorophenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1R,3R)-2,2-dichloro-N-[3-[2-[2,4-difluoro-3-(3,3,3-trifluoro-2-oxopropyl)phenyl]acetyl]-4-fluorophenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(Cc1ccc(F)c(CC(=O)C(F)(F)F)c1F)c1cc(NC(=O)[C@H]2[C@H](c3ccc(F)c(C(F)(F)F)c3)C2(Cl)Cl)ccc1F.

What is the InChIKey of trans-(1R,3R)-2,2-dichloro-N-[3-[2-[2,4-difluoro-3-(3,3,3-trifluoro-2-oxopropyl)phenyl]acetyl]-4-fluorophenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?

The InChIKey is AVTYYCZJHLLFOO-XZOQPEGZSA-N. The full InChI is InChI=1S/C28H15Cl2F10NO3/c29-26(30)22(11-1-5-19(33)16(7-11)27(35,36)37)23(26)25(44)41-13-3-6-17(31)14(9-13)20(42)8-12-2-4-18(32)15(24(12)34)10-21(43)28(38,39)40/h1-7,9,22-23H,8,10H2,(H,41,44)/t22-,23+/m0/s1.

What are the key properties of trans-(1R,3R)-2,2-dichloro-N-[3-[2-[2,4-difluoro-3-(3,3,3-trifluoro-2-oxopropyl)phenyl]acetyl]-4-fluorophenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?

trans-(1R,3R)-2,2-dichloro-N-[3-[2-[2,4-difluoro-3-(3,3,3-trifluoro-2-oxopropyl)phenyl]acetyl]-4-fluorophenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 674.32 g/mol, XLogP of 7.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,3R)-2,2-dichloro-N-[3-[2-[2,4-difluoro-3-(3,3,3-trifluoro-2-oxopropyl)phenyl]acetyl]-4-fluorophenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 157246081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).