(E)-3-(2-chlorophenyl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide

C28H28ClNO — CID 133191082

About (E)-3-(2-chlorophenyl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide

(E)-3-(2-chlorophenyl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide (PubChem CID 133191082) has the molecular formula C28H28ClNO and a molecular weight of 429.99 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-(2-chlorophenyl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide
• PubChem CID: 133191082
• Molecular Formula: C28H28ClNO
• Molecular Weight: 429.99 g/mol
• Exact Mass: 429.19
• IUPAC Name: (E)-3-(2-chlorophenyl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide
• SMILES: CCC(NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C28H28ClNO/c1-2-27(24-17-16-20-10-6-7-13-22(20)18-24)30-28(31)25(21-11-4-3-5-12-21)19-23-14-8-9-15-26(23)29/h3-5,8-9,11-12,14-19,27H,2,6-7,10,13H2,1H3,(H,30,31)/b25-19+
• InChIKey: HTPSMMBSQMNCLP-NCELDCMTSA-N
• XLogP: 7.03
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.99
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide?

The IUPAC name of (E)-3-(2-chlorophenyl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide (CID 133191082) is (E)-3-(2-chlorophenyl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide.

What is the SMILES notation for (E)-3-(2-chlorophenyl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide?

The canonical SMILES for (E)-3-(2-chlorophenyl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide is CCC(NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc2c(c1)CCCC2.

What is the InChIKey of (E)-3-(2-chlorophenyl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide?

The InChIKey is HTPSMMBSQMNCLP-NCELDCMTSA-N. The full InChI is InChI=1S/C28H28ClNO/c1-2-27(24-17-16-20-10-6-7-13-22(20)18-24)30-28(31)25(21-11-4-3-5-12-21)19-23-14-8-9-15-26(23)29/h3-5,8-9,11-12,14-19,27H,2,6-7,10,13H2,1H3,(H,30,31)/b25-19+.

What are the key properties of (E)-3-(2-chlorophenyl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide?

(E)-3-(2-chlorophenyl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide has a molecular weight of 429.99 g/mol, XLogP of 7.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(2-chlorophenyl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide is sourced from PubChem (CID 133191082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).