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

C30H34FN3O2 — CID 25458631

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

N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 25458631) has the molecular formula C30H34FN3O2 and a molecular weight of 487.62 g/mol. Its IUPAC name is N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide
• PubChem CID: 25458631
• Molecular Formula: C30H34FN3O2
• Molecular Weight: 487.62 g/mol
• Exact Mass: 487.26
• IUPAC Name: N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide
• SMILES: O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)C1CCCC1
• InChI: InChI=1S/C30H34FN3O2/c31-23-17-15-22(16-18-23)28(29(35)32-24-11-5-2-6-12-24)34(25-13-7-8-14-25)30(36)27-20-19-26(33-27)21-9-3-1-4-10-21/h1,3-4,9-10,15-20,24-25,28,33H,2,5-8,11-14H2,(H,32,35)/t28-/m0/s1
• InChIKey: LRSCJZIIYWARKA-NDEPHWFRSA-N
• XLogP: 6.40
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.62
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide (CID 25458631) is N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide.

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

The canonical SMILES for N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide is O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)C1CCCC1.

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

The InChIKey is LRSCJZIIYWARKA-NDEPHWFRSA-N. The full InChI is InChI=1S/C30H34FN3O2/c31-23-17-15-22(16-18-23)28(29(35)32-24-11-5-2-6-12-24)34(25-13-7-8-14-25)30(36)27-20-19-26(33-27)21-9-3-1-4-10-21/h1,3-4,9-10,15-20,24-25,28,33H,2,5-8,11-14H2,(H,32,35)/t28-/m0/s1.

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

N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 487.62 g/mol, XLogP of 6.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 25458631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).