N-(3-amino-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(2-chloro-4-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide

C114H120Cl2F18N20O18 — CID 159275090

About N-(3-amino-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(2-chloro-4-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide

N-(3-amino-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(2-chloro-4-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide (PubChem CID 159275090) has the molecular formula C114H120Cl2F18N20O18 and a molecular weight of 2471.21 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(2-chloro-4-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-amino-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(2-chloro-4-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide
• PubChem CID: 159275090
• Molecular Formula: C114H120Cl2F18N20O18
• Molecular Weight: 2471.21 g/mol
• Exact Mass: 2468.82
• IUPAC Name: N-(3-amino-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(2-chloro-4-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide
• SMILES: Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)c(C)n(C)c1C(=O)C(=O)NC(C)C.Cc1c(C(=O)Nc2ccc(F)c(F)c2)c(C)n(C)c1C(=O)C(=O)N[C@@H](C)C(F)(F)F.Cc1c(C(=O)Nc2ccc(F)c(N)c2)c(C)n(C)c1C(=O)C(=O)NC(C)C.Cc1c(C(=O)Nc2ccc(F)cc2)c(C)n(C)c1C(=O)C(=O)N[C@@H](C)C(F)(F)F.Cc1c(C(=O)Nc2ccnc(Cl)c2)c(C)n(C)c1C(=O)C(=O)N[C@@H](C)C(F)(F)F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H](C)C(F)(F)F)n(C)c2C)ccc1F
• InChI: InChI=1S/C20H21F4N3O3.C19H21ClFN3O3.C19H18F5N3O3.C19H19F4N3O3.C19H23FN4O3.C18H18ClF3N4O3/c1-9-8-13(6-7-14(9)21)26-18(29)15-10(2)16(27(5)11(15)3)17(28)19(30)25-12(4)20(22,23)24;1-9(2)22-19(27)17(25)16-10(3)15(11(4)24(16)5)18(26)23-12-6-7-14(21)13(20)8-12;1-8-14(17(29)26-11-5-6-12(20)13(21)7-11)9(2)27(4)15(8)16(28)18(30)25-10(3)19(22,23)24;1-9-14(17(28)25-13-7-5-12(20)6-8-13)10(2)26(4)15(9)16(27)18(29)24-11(3)19(21,22)23;1-9(2)22-19(27)17(25)16-10(3)15(11(4)24(16)5)18(26)23-12-6-7-13(20)14(21)8-12;1-8-13(16(28)25-11-5-6-23-12(19)7-11)9(2)26(4)14(8)15(27)17(29)24-10(3)18(20,21)22/h6-8,12H,1-5H3,(H,25,30)(H,26,29);6-9H,1-5H3,(H,22,27)(H,23,26);5-7,10H,1-4H3,(H,25,30)(H,26,29);5-8,11H,1-4H3,(H,24,29)(H,25,28);6-9H,21H2,1-5H3,(H,22,27)(H,23,26);5-7,10H,1-4H3,(H,24,29)(H,23,25,28)/t12-;;10-;11-;;10-/m0.00.0/s1
• InChIKey: KYFASZDGUQOCSX-DGWNSKLRSA-N
• XLogP: 19.21
• TPSA: 520.11 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 26
• Rotatable Bonds: 30
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2471.21
LogP ≤ 5	19.21
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(2-chloro-4-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide?

The IUPAC name of N-(3-amino-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(2-chloro-4-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide (CID 159275090) is N-(3-amino-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(2-chloro-4-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide.

What is the SMILES notation for N-(3-amino-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(2-chloro-4-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide?

The canonical SMILES for N-(3-amino-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(2-chloro-4-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide is Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)c(C)n(C)c1C(=O)C(=O)NC(C)C.Cc1c(C(=O)Nc2ccc(F)c(F)c2)c(C)n(C)c1C(=O)C(=O)N[C@@H](C)C(F)(F)F.Cc1c(C(=O)Nc2ccc(F)c(N)c2)c(C)n(C)c1C(=O)C(=O)NC(C)C.Cc1c(C(=O)Nc2ccc(F)cc2)c(C)n(C)c1C(=O)C(=O)N[C@@H](C)C(F)(F)F.Cc1c(C(=O)Nc2ccnc(Cl)c2)c(C)n(C)c1C(=O)C(=O)N[C@@H](C)C(F)(F)F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H](C)C(F)(F)F)n(C)c2C)ccc1F.

What is the InChIKey of N-(3-amino-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(2-chloro-4-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide?

The InChIKey is KYFASZDGUQOCSX-DGWNSKLRSA-N. The full InChI is InChI=1S/C20H21F4N3O3.C19H21ClFN3O3.C19H18F5N3O3.C19H19F4N3O3.C19H23FN4O3.C18H18ClF3N4O3/c1-9-8-13(6-7-14(9)21)26-18(29)15-10(2)16(27(5)11(15)3)17(28)19(30)25-12(4)20(22,23)24;1-9(2)22-19(27)17(25)16-10(3)15(11(4)24(16)5)18(26)23-12-6-7-14(21)13(20)8-12;1-8-14(17(29)26-11-5-6-12(20)13(21)7-11)9(2)27(4)15(8)16(28)18(30)25-10(3)19(22,23)24;1-9-14(17(28)25-13-7-5-12(20)6-8-13)10(2)26(4)15(9)16(27)18(29)24-11(3)19(21,22)23;1-9(2)22-19(27)17(25)16-10(3)15(11(4)24(16)5)18(26)23-12-6-7-13(20)14(21)8-12;1-8-13(16(28)25-11-5-6-23-12(19)7-11)9(2)26(4)14(8)15(27)17(29)24-10(3)18(20,21)22/h6-8,12H,1-5H3,(H,25,30)(H,26,29);6-9H,1-5H3,(H,22,27)(H,23,26);5-7,10H,1-4H3,(H,25,30)(H,26,29);5-8,11H,1-4H3,(H,24,29)(H,25,28);6-9H,21H2,1-5H3,(H,22,27)(H,23,26);5-7,10H,1-4H3,(H,24,29)(H,23,25,28)/t12-;;10-;11-;;10-/m0.00.0/s1.

What are the key properties of N-(3-amino-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(2-chloro-4-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide?

N-(3-amino-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(2-chloro-4-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide has a molecular weight of 2471.21 g/mol, XLogP of 19.21, 30 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(3-chloro-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(2-chloro-4-pyridinyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 159275090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).