2-(3-amino-4-thiophen-3-ylphenyl)-N-cyclopropyl-2,2-difluoroacetamide;1-bromo-4-methylbenzene;N-cyclopropyl-2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetamide;N-cyclopropyl-2,2-difluoro-2-[3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylphenyl]acetamide;2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetic acid;ethyl 2-(4-bromo-3-nitrophenyl)-2,2-difluoroacetate;ethyl 2-(4-bromophenyl)-2,2-difluoroacetate

C94H77Br3F15N7O16S4 — CID 161130174

About 2-(3-amino-4-thiophen-3-ylphenyl)-N-cyclopropyl-2,2-difluoroacetamide;1-bromo-4-methylbenzene;N-cyclopropyl-2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetamide;N-cyclopropyl-2,2-difluoro-2-[3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylphenyl]acetamide;2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetic acid;ethyl 2-(4-bromo-3-nitrophenyl)-2,2-difluoroacetate;ethyl 2-(4-bromophenyl)-2,2-difluoroacetate

2-(3-amino-4-thiophen-3-ylphenyl)-N-cyclopropyl-2,2-difluoroacetamide;1-bromo-4-methylbenzene;N-cyclopropyl-2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetamide;N-cyclopropyl-2,2-difluoro-2-[3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylphenyl]acetamide;2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetic acid;ethyl 2-(4-bromo-3-nitrophenyl)-2,2-difluoroacetate;ethyl 2-(4-bromophenyl)-2,2-difluoroacetate (PubChem CID 161130174) has the molecular formula C94H77Br3F15N7O16S4 and a molecular weight of 2213.63 g/mol. Its IUPAC name is 2-(3-amino-4-thiophen-3-ylphenyl)-N-cyclopropyl-2,2-difluoroacetamide;1-bromo-4-methylbenzene;N-cyclopropyl-2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetamide;N-cyclopropyl-2,2-difluoro-2-[3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylphenyl]acetamide;2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetic acid;ethyl 2-(4-bromo-3-nitrophenyl)-2,2-difluoroacetate;ethyl 2-(4-bromophenyl)-2,2-difluoroacetate.

Molecular Properties

• Compound Name: 2-(3-amino-4-thiophen-3-ylphenyl)-N-cyclopropyl-2,2-difluoroacetamide;1-bromo-4-methylbenzene;N-cyclopropyl-2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetamide;N-cyclopropyl-2,2-difluoro-2-[3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylphenyl]acetamide;2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetic acid;ethyl 2-(4-bromo-3-nitrophenyl)-2,2-difluoroacetate;ethyl 2-(4-bromophenyl)-2,2-difluoroacetate
• PubChem CID: 161130174
• Molecular Formula: C94H77Br3F15N7O16S4
• Molecular Weight: 2213.63 g/mol
• Exact Mass: 2209.16
• IUPAC Name: 2-(3-amino-4-thiophen-3-ylphenyl)-N-cyclopropyl-2,2-difluoroacetamide;1-bromo-4-methylbenzene;N-cyclopropyl-2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetamide;N-cyclopropyl-2,2-difluoro-2-[3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylphenyl]acetamide;2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetic acid;ethyl 2-(4-bromo-3-nitrophenyl)-2,2-difluoroacetate;ethyl 2-(4-bromophenyl)-2,2-difluoroacetate
• SMILES: CCOC(=O)C(F)(F)c1ccc(Br)c([N+](=O)[O-])c1.CCOC(=O)C(F)(F)c1ccc(Br)cc1.Cc1ccc(Br)cc1.Nc1cc(C(F)(F)C(=O)NC2CC2)ccc1-c1ccsc1.O=C(Cc1cccc(C(F)(F)F)c1)Cc1cc(C(F)(F)C(=O)NC2CC2)ccc1-c1ccsc1.O=C(NC1CC1)C(F)(F)c1ccc(-c2ccsc2)c([N+](=O)[O-])c1.O=C(O)C(F)(F)c1ccc(-c2ccsc2)c([N+](=O)[O-])c1
• InChI: InChI=1S/C25H20F5NO2S.C15H12F2N2O3S.C15H14F2N2OS.C12H7F2NO4S.C10H8BrF2NO4.C10H9BrF2O2.C7H7Br/c26-24(27,23(33)31-20-5-6-20)18-4-7-22(16-8-9-34-14-16)17(12-18)13-21(32)11-15-2-1-3-19(10-15)25(28,29)30;16-15(17,14(20)18-11-2-3-11)10-1-4-12(9-5-6-23-8-9)13(7-10)19(21)22;16-15(17,14(20)19-11-2-3-11)10-1-4-12(13(18)7-10)9-5-6-21-8-9;13-12(14,11(16)17)8-1-2-9(7-3-4-20-6-7)10(5-8)15(18)19;1-2-18-9(15)10(12,13)6-3-4-7(11)8(5-6)14(16)17;1-2-15-9(14)10(12,13)7-3-5-8(11)6-4-7;1-6-2-4-7(8)5-3-6/h1-4,7-10,12,14,20H,5-6,11,13H2,(H,31,33);1,4-8,11H,2-3H2,(H,18,20);1,4-8,11H,2-3,18H2,(H,19,20);1-6H,(H,16,17);3-5H,2H2,1H3;3-6H,2H2,1H3;2-5H,1H3
• InChIKey: UMBPBCMBUZVPKF-UHFFFAOYSA-N
• XLogP: 25.59
• TPSA: 349.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2213.63
LogP ≤ 5	25.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-thiophen-3-ylphenyl)-N-cyclopropyl-2,2-difluoroacetamide;1-bromo-4-methylbenzene;N-cyclopropyl-2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetamide;N-cyclopropyl-2,2-difluoro-2-[3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylphenyl]acetamide;2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetic acid;ethyl 2-(4-bromo-3-nitrophenyl)-2,2-difluoroacetate;ethyl 2-(4-bromophenyl)-2,2-difluoroacetate?

The IUPAC name of 2-(3-amino-4-thiophen-3-ylphenyl)-N-cyclopropyl-2,2-difluoroacetamide;1-bromo-4-methylbenzene;N-cyclopropyl-2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetamide;N-cyclopropyl-2,2-difluoro-2-[3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylphenyl]acetamide;2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetic acid;ethyl 2-(4-bromo-3-nitrophenyl)-2,2-difluoroacetate;ethyl 2-(4-bromophenyl)-2,2-difluoroacetate (CID 161130174) is 2-(3-amino-4-thiophen-3-ylphenyl)-N-cyclopropyl-2,2-difluoroacetamide;1-bromo-4-methylbenzene;N-cyclopropyl-2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetamide;N-cyclopropyl-2,2-difluoro-2-[3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylphenyl]acetamide;2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetic acid;ethyl 2-(4-bromo-3-nitrophenyl)-2,2-difluoroacetate;ethyl 2-(4-bromophenyl)-2,2-difluoroacetate.

What is the SMILES notation for 2-(3-amino-4-thiophen-3-ylphenyl)-N-cyclopropyl-2,2-difluoroacetamide;1-bromo-4-methylbenzene;N-cyclopropyl-2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetamide;N-cyclopropyl-2,2-difluoro-2-[3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylphenyl]acetamide;2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetic acid;ethyl 2-(4-bromo-3-nitrophenyl)-2,2-difluoroacetate;ethyl 2-(4-bromophenyl)-2,2-difluoroacetate?

The canonical SMILES for 2-(3-amino-4-thiophen-3-ylphenyl)-N-cyclopropyl-2,2-difluoroacetamide;1-bromo-4-methylbenzene;N-cyclopropyl-2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetamide;N-cyclopropyl-2,2-difluoro-2-[3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylphenyl]acetamide;2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetic acid;ethyl 2-(4-bromo-3-nitrophenyl)-2,2-difluoroacetate;ethyl 2-(4-bromophenyl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1ccc(Br)c([N+](=O)[O-])c1.CCOC(=O)C(F)(F)c1ccc(Br)cc1.Cc1ccc(Br)cc1.Nc1cc(C(F)(F)C(=O)NC2CC2)ccc1-c1ccsc1.O=C(Cc1cccc(C(F)(F)F)c1)Cc1cc(C(F)(F)C(=O)NC2CC2)ccc1-c1ccsc1.O=C(NC1CC1)C(F)(F)c1ccc(-c2ccsc2)c([N+](=O)[O-])c1.O=C(O)C(F)(F)c1ccc(-c2ccsc2)c([N+](=O)[O-])c1.

What is the InChIKey of 2-(3-amino-4-thiophen-3-ylphenyl)-N-cyclopropyl-2,2-difluoroacetamide;1-bromo-4-methylbenzene;N-cyclopropyl-2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetamide;N-cyclopropyl-2,2-difluoro-2-[3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylphenyl]acetamide;2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetic acid;ethyl 2-(4-bromo-3-nitrophenyl)-2,2-difluoroacetate;ethyl 2-(4-bromophenyl)-2,2-difluoroacetate?

The InChIKey is UMBPBCMBUZVPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F5NO2S.C15H12F2N2O3S.C15H14F2N2OS.C12H7F2NO4S.C10H8BrF2NO4.C10H9BrF2O2.C7H7Br/c26-24(27,23(33)31-20-5-6-20)18-4-7-22(16-8-9-34-14-16)17(12-18)13-21(32)11-15-2-1-3-19(10-15)25(28,29)30;16-15(17,14(20)18-11-2-3-11)10-1-4-12(9-5-6-23-8-9)13(7-10)19(21)22;16-15(17,14(20)19-11-2-3-11)10-1-4-12(13(18)7-10)9-5-6-21-8-9;13-12(14,11(16)17)8-1-2-9(7-3-4-20-6-7)10(5-8)15(18)19;1-2-18-9(15)10(12,13)6-3-4-7(11)8(5-6)14(16)17;1-2-15-9(14)10(12,13)7-3-5-8(11)6-4-7;1-6-2-4-7(8)5-3-6/h1-4,7-10,12,14,20H,5-6,11,13H2,(H,31,33);1,4-8,11H,2-3H2,(H,18,20);1,4-8,11H,2-3,18H2,(H,19,20);1-6H,(H,16,17);3-5H,2H2,1H3;3-6H,2H2,1H3;2-5H,1H3.

What are the key properties of 2-(3-amino-4-thiophen-3-ylphenyl)-N-cyclopropyl-2,2-difluoroacetamide;1-bromo-4-methylbenzene;N-cyclopropyl-2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetamide;N-cyclopropyl-2,2-difluoro-2-[3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylphenyl]acetamide;2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetic acid;ethyl 2-(4-bromo-3-nitrophenyl)-2,2-difluoroacetate;ethyl 2-(4-bromophenyl)-2,2-difluoroacetate?

2-(3-amino-4-thiophen-3-ylphenyl)-N-cyclopropyl-2,2-difluoroacetamide;1-bromo-4-methylbenzene;N-cyclopropyl-2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetamide;N-cyclopropyl-2,2-difluoro-2-[3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylphenyl]acetamide;2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetic acid;ethyl 2-(4-bromo-3-nitrophenyl)-2,2-difluoroacetate;ethyl 2-(4-bromophenyl)-2,2-difluoroacetate has a molecular weight of 2213.63 g/mol, XLogP of 25.59, 28 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-amino-4-thiophen-3-ylphenyl)-N-cyclopropyl-2,2-difluoroacetamide;1-bromo-4-methylbenzene;N-cyclopropyl-2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetamide;N-cyclopropyl-2,2-difluoro-2-[3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylphenyl]acetamide;2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetic acid;ethyl 2-(4-bromo-3-nitrophenyl)-2,2-difluoroacetate;ethyl 2-(4-bromophenyl)-2,2-difluoroacetate is sourced from PubChem (CID 161130174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).