N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dichlorophenyl)propanamide

C₁₆H₁₉Cl₂NO — CID 100605785

About N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dichlorophenyl)propanamide

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dichlorophenyl)propanamide (PubChem CID 100605785) has the molecular formula C₁₆H₁₉Cl₂NO and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dichlorophenyl)propanamide.

Molecular Properties

• Compound Name: N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dichlorophenyl)propanamide
• PubChem CID: 100605785
• Molecular Formula: C₁₆H₁₉Cl₂NO
• Molecular Weight: 312.24 g/mol
• Exact Mass: 311.08
• IUPAC Name: N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dichlorophenyl)propanamide
• SMILES: O=C(CCc1ccc(Cl)cc1Cl)N[C@@H]1C[C@@H]2CC[C@@H]1C2
• InChI: InChI=1S/C16H19Cl2NO/c17-13-5-3-11(14(18)9-13)4-6-16(20)19-15-8-10-1-2-12(15)7-10/h3,5,9-10,12,15H,1-2,4,6-8H2,(H,19,20)/t10-,12-,15-/m1/s1
• InChIKey: YMEUNSOACZTPFD-IXPVHAAZSA-N
• XLogP: 4.23
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.24
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dichlorophenyl)propanamide?

The IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dichlorophenyl)propanamide (CID 100605785) is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dichlorophenyl)propanamide.

What is the SMILES notation for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dichlorophenyl)propanamide?

The canonical SMILES for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dichlorophenyl)propanamide is O=C(CCc1ccc(Cl)cc1Cl)N[C@@H]1C[C@@H]2CC[C@@H]1C2.

What is the InChIKey of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dichlorophenyl)propanamide?

The InChIKey is YMEUNSOACZTPFD-IXPVHAAZSA-N. The full InChI is InChI=1S/C16H19Cl2NO/c17-13-5-3-11(14(18)9-13)4-6-16(20)19-15-8-10-1-2-12(15)7-10/h3,5,9-10,12,15H,1-2,4,6-8H2,(H,19,20)/t10-,12-,15-/m1/s1.

What are the key properties of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dichlorophenyl)propanamide?

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dichlorophenyl)propanamide has a molecular weight of 312.24 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 100605785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 100605785 — identifiers, structure, computed properties (public domain)

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