N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2R)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide

C93H113F7N14O15 — CID 158508290

About N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2R)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2R)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide (PubChem CID 158508290) has the molecular formula C93H113F7N14O15 and a molecular weight of 1800.00 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2R)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2R)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide
• PubChem CID: 158508290
• Molecular Formula: C93H113F7N14O15
• Molecular Weight: 1800.00 g/mol
• Exact Mass: 1798.84
• IUPAC Name: N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2R)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide
• SMILES: CC(=O)[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C(C)C.CNC(=O)[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C(C)C.CNC(=O)[C@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C(C)C.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(F)(F)F)CCCCC3)n(C)c2C)ccc1F
• InChI: InChI=1S/C24H27F4N3O3.2C23H29FN4O4.C23H28FN3O4/c1-13-12-16(8-9-17(13)25)29-21(33)18-14(2)19(31(4)15(18)3)20(32)22(34)30-23(24(26,27)28)10-6-5-7-11-23;2*1-11(2)18(22(31)25-6)27-23(32)20(29)19-13(4)17(14(5)28(19)7)21(30)26-15-8-9-16(24)12(3)10-15;1-11(2)19(15(6)28)26-23(31)21(29)20-13(4)18(14(5)27(20)7)22(30)25-16-8-9-17(24)12(3)10-16/h8-9,12H,5-7,10-11H2,1-4H3,(H,29,33)(H,30,34);2*8-11,18H,1-7H3,(H,25,31)(H,26,30)(H,27,32);8-11,19H,1-7H3,(H,25,30)(H,26,31)/t;2*18-;19-/m.100/s1
• InChIKey: HKSRQCXKECSJBP-MOTGVTIQSA-N
• XLogP: 12.98
• TPSA: 396.07 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 19
• Rotatable Bonds: 26
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1800.00
LogP ≤ 5	12.98
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2R)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide?

The IUPAC name of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2R)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide (CID 158508290) is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2R)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide.

What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2R)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide?

The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2R)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide is CC(=O)[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C(C)C.CNC(=O)[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C(C)C.CNC(=O)[C@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C)C(C)C.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(F)(F)F)CCCCC3)n(C)c2C)ccc1F.

What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2R)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide?

The InChIKey is HKSRQCXKECSJBP-MOTGVTIQSA-N. The full InChI is InChI=1S/C24H27F4N3O3.2C23H29FN4O4.C23H28FN3O4/c1-13-12-16(8-9-17(13)25)29-21(33)18-14(2)19(31(4)15(18)3)20(32)22(34)30-23(24(26,27)28)10-6-5-7-11-23;2*1-11(2)18(22(31)25-6)27-23(32)20(29)19-13(4)17(14(5)28(19)7)21(30)26-15-8-9-16(24)12(3)10-15;1-11(2)19(15(6)28)26-23(31)21(29)20-13(4)18(14(5)27(20)7)22(30)25-16-8-9-17(24)12(3)10-16/h8-9,12H,5-7,10-11H2,1-4H3,(H,29,33)(H,30,34);2*8-11,18H,1-7H3,(H,25,31)(H,26,30)(H,27,32);8-11,19H,1-7H3,(H,25,30)(H,26,31)/t;2*18-;19-/m.100/s1.

What are the key properties of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2R)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide?

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2R)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide has a molecular weight of 1800.00 g/mol, XLogP of 12.98, 26 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(2R)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 158508290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).