N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide

C₁₉H₂₀Cl₂N₂O₂ — CID 168639493

About N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide

N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide (PubChem CID 168639493) has the molecular formula C₁₉H₂₀Cl₂N₂O₂ and a molecular weight of 379.29 g/mol. Its IUPAC name is N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide
• PubChem CID: 168639493
• Molecular Formula: C₁₉H₂₀Cl₂N₂O₂
• Molecular Weight: 379.29 g/mol
• Exact Mass: 378.09
• IUPAC Name: N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(C=Cc2ccc(Cl)cc2)c(NCC(O)CCl)c1
• InChI: InChI=1S/C19H20Cl2N2O2/c1-13(24)23-17-9-6-15(19(10-17)22-12-18(25)11-20)5-2-14-3-7-16(21)8-4-14/h2-10,18,22,25H,11-12H2,1H3,(H,23,24)
• InChIKey: GHZPKISGMANIIF-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 61.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.29
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide?

The IUPAC name of N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide (CID 168639493) is N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide.

What is the SMILES notation for N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide?

The canonical SMILES for N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide is CC(=O)Nc1ccc(C=Cc2ccc(Cl)cc2)c(NCC(O)CCl)c1.

What is the InChIKey of N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide?

The InChIKey is GHZPKISGMANIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-13(24)23-17-9-6-15(19(10-17)22-12-18(25)11-20)5-2-14-3-7-16(21)8-4-14/h2-10,18,22,25H,11-12H2,1H3,(H,23,24).

What are the key properties of N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide?

N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide has a molecular weight of 379.29 g/mol, XLogP of 4.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide is sourced from PubChem (CID 168639493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 168639493 — identifiers, structure, computed properties (public domain)

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