cis-(1R,2S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropane-1-carboxamide

C26H20ClF3N4O5 — CID 166855352

About cis-(1R,2S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropane-1-carboxamide

cis-(1R,2S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropane-1-carboxamide (PubChem CID 166855352) has the molecular formula C26H20ClF3N4O5 and a molecular weight of 560.92 g/mol. Its IUPAC name is cis-(1R,2S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,2S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropane-1-carboxamide
• PubChem CID: 166855352
• Molecular Formula: C26H20ClF3N4O5
• Molecular Weight: 560.92 g/mol
• Exact Mass: 560.11
• IUPAC Name: cis-(1R,2S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropane-1-carboxamide
• SMILES: O=C1CCC(N2C(=O)C=C(Nc3cccc([C@H]4C[C@H]4C(=O)Nc4ccc(C(F)(F)F)c(Cl)c4)c3)C2=O)C(=O)N1
• InChI: InChI=1S/C26H20ClF3N4O5/c27-18-9-14(4-5-17(18)26(28,29)30)32-23(37)16-10-15(16)12-2-1-3-13(8-12)31-19-11-22(36)34(25(19)39)20-6-7-21(35)33-24(20)38/h1-5,8-9,11,15-16,20,31H,6-7,10H2,(H,32,37)(H,33,35,38)/t15-,16-,20?/m1/s1
• InChIKey: GWVUUQSTVZCXOH-KFKFVUQKSA-N
• XLogP: 3.57
• TPSA: 124.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.92
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropane-1-carboxamide (CID 166855352) is cis-(1R,2S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropane-1-carboxamide is O=C1CCC(N2C(=O)C=C(Nc3cccc([C@H]4C[C@H]4C(=O)Nc4ccc(C(F)(F)F)c(Cl)c4)c3)C2=O)C(=O)N1.

What is the InChIKey of cis-(1R,2S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropane-1-carboxamide?

The InChIKey is GWVUUQSTVZCXOH-KFKFVUQKSA-N. The full InChI is InChI=1S/C26H20ClF3N4O5/c27-18-9-14(4-5-17(18)26(28,29)30)32-23(37)16-10-15(16)12-2-1-3-13(8-12)31-19-11-22(36)34(25(19)39)20-6-7-21(35)33-24(20)38/h1-5,8-9,11,15-16,20,31H,6-7,10H2,(H,32,37)(H,33,35,38)/t15-,16-,20?/m1/s1.

What are the key properties of cis-(1R,2S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropane-1-carboxamide?

cis-(1R,2S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropane-1-carboxamide has a molecular weight of 560.92 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166855352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).