(2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopiperidin-1-yl)phenyl]-2-phenylacetamide

C26H26ClN5O2 — CID 11754720

About (2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopiperidin-1-yl)phenyl]-2-phenylacetamide

(2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopiperidin-1-yl)phenyl]-2-phenylacetamide (PubChem CID 11754720) has the molecular formula C26H26ClN5O2 and a molecular weight of 475.98 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopiperidin-1-yl)phenyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopiperidin-1-yl)phenyl]-2-phenylacetamide
• PubChem CID: 11754720
• Molecular Formula: C26H26ClN5O2
• Molecular Weight: 475.98 g/mol
• Exact Mass: 475.18
• IUPAC Name: (2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopiperidin-1-yl)phenyl]-2-phenylacetamide
• SMILES: [H]/N=C1\CCCCN1c1ccc(NC(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1
• InChI: InChI=1S/C26H26ClN5O2/c27-19-9-11-21(12-10-19)30-26(34)31-24(18-6-2-1-3-7-18)25(33)29-20-13-15-22(16-14-20)32-17-5-4-8-23(32)28/h1-3,6-7,9-16,24,28H,4-5,8,17H2,(H,29,33)(H2,30,31,34)/b28-23+/t24-/m1/s1
• InChIKey: YOKAEAHBWZYQIH-SHMWJOFESA-N
• XLogP: 5.81
• TPSA: 97.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.98
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopiperidin-1-yl)phenyl]-2-phenylacetamide?

The IUPAC name of (2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopiperidin-1-yl)phenyl]-2-phenylacetamide (CID 11754720) is (2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopiperidin-1-yl)phenyl]-2-phenylacetamide.

What is the SMILES notation for (2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopiperidin-1-yl)phenyl]-2-phenylacetamide?

The canonical SMILES for (2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopiperidin-1-yl)phenyl]-2-phenylacetamide is [H]/N=C1\CCCCN1c1ccc(NC(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1.

What is the InChIKey of (2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopiperidin-1-yl)phenyl]-2-phenylacetamide?

The InChIKey is YOKAEAHBWZYQIH-SHMWJOFESA-N. The full InChI is InChI=1S/C26H26ClN5O2/c27-19-9-11-21(12-10-19)30-26(34)31-24(18-6-2-1-3-7-18)25(33)29-20-13-15-22(16-14-20)32-17-5-4-8-23(32)28/h1-3,6-7,9-16,24,28H,4-5,8,17H2,(H,29,33)(H2,30,31,34)/b28-23+/t24-/m1/s1.

What are the key properties of (2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopiperidin-1-yl)phenyl]-2-phenylacetamide?

(2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopiperidin-1-yl)phenyl]-2-phenylacetamide has a molecular weight of 475.98 g/mol, XLogP of 5.81, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopiperidin-1-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 11754720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).