N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide

C32H32FN3O2 — CID 3180640

About N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide

N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 3180640) has the molecular formula C32H32FN3O2 and a molecular weight of 509.63 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
• PubChem CID: 3180640
• Molecular Formula: C32H32FN3O2
• Molecular Weight: 509.63 g/mol
• Exact Mass: 509.25
• IUPAC Name: N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
• SMILES: Cc1ccc(N(C(=O)c2ccc(-c3ccccc3)[nH]2)C(C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1
• InChI: InChI=1S/C32H32FN3O2/c1-22-12-18-27(19-13-22)36(32(38)29-21-20-28(35-29)23-8-4-2-5-9-23)30(24-14-16-25(33)17-15-24)31(37)34-26-10-6-3-7-11-26/h2,4-5,8-9,12-21,26,30,35H,3,6-7,10-11H2,1H3,(H,34,37)
• InChIKey: JYVLNXLWXOYISZ-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.63
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide?

The IUPAC name of N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide (CID 3180640) is N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide.

What is the SMILES notation for N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide?

The canonical SMILES for N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide is Cc1ccc(N(C(=O)c2ccc(-c3ccccc3)[nH]2)C(C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1.

What is the InChIKey of N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide?

The InChIKey is JYVLNXLWXOYISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN3O2/c1-22-12-18-27(19-13-22)36(32(38)29-21-20-28(35-29)23-8-4-2-5-9-23)30(24-14-16-25(33)17-15-24)31(37)34-26-10-6-3-7-11-26/h2,4-5,8-9,12-21,26,30,35H,3,6-7,10-11H2,1H3,(H,34,37).

What are the key properties of N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide?

N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 509.63 g/mol, XLogP of 6.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3180640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).