N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide

C23H27FN4O5 — CID 146450407

About N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 146450407) has the molecular formula C23H27FN4O5 and a molecular weight of 458.49 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 146450407
• Molecular Formula: C23H27FN4O5
• Molecular Weight: 458.49 g/mol
• Exact Mass: 458.20
• IUPAC Name: N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCC(=O)N3CCOCC3)n(C)c2C)ccc1F
• InChI: InChI=1S/C23H27FN4O5/c1-13-11-16(5-6-17(13)24)26-22(31)19-14(2)20(27(4)15(19)3)21(30)23(32)25-12-18(29)28-7-9-33-10-8-28/h5-6,11H,7-10,12H2,1-4H3,(H,25,32)(H,26,31)
• InChIKey: UYFJUNFPPQTSRC-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 109.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.49
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 146450407) is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCC(=O)N3CCOCC3)n(C)c2C)ccc1F.

What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is UYFJUNFPPQTSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O5/c1-13-11-16(5-6-17(13)24)26-22(31)19-14(2)20(27(4)15(19)3)21(30)23(32)25-12-18(29)28-7-9-33-10-8-28/h5-6,11H,7-10,12H2,1-4H3,(H,25,32)(H,26,31).

What are the key properties of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 458.49 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 146450407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).