N-(5-chloro-2-methylphenyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide

C16H7ClF17NO3 — CID 4102745

About N-(5-chloro-2-methylphenyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide

N-(5-chloro-2-methylphenyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide (PubChem CID 4102745) has the molecular formula C16H7ClF17NO3 and a molecular weight of 619.65 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methylphenyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide
• PubChem CID: 4102745
• Molecular Formula: C16H7ClF17NO3
• Molecular Weight: 619.65 g/mol
• Exact Mass: 618.98
• IUPAC Name: N-(5-chloro-2-methylphenyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide
• SMILES: Cc1ccc(Cl)cc1NC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C16H7ClF17NO3/c1-5-2-3-6(17)4-7(5)35-8(36)9(18,12(22,23)24)37-16(33,34)11(21,14(28,29)30)38-15(31,32)10(19,20)13(25,26)27/h2-4H,1H3,(H,35,36)
• InChIKey: PUBDMUWYTJFADA-UHFFFAOYSA-N
• XLogP: 7.46
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.65
LogP ≤ 5	7.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide?

The IUPAC name of N-(5-chloro-2-methylphenyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide (CID 4102745) is N-(5-chloro-2-methylphenyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide.

What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide?

The canonical SMILES for N-(5-chloro-2-methylphenyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide is Cc1ccc(Cl)cc1NC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.

What is the InChIKey of N-(5-chloro-2-methylphenyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide?

The InChIKey is PUBDMUWYTJFADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7ClF17NO3/c1-5-2-3-6(17)4-7(5)35-8(36)9(18,12(22,23)24)37-16(33,34)11(21,14(28,29)30)38-15(31,32)10(19,20)13(25,26)27/h2-4H,1H3,(H,35,36).

What are the key properties of N-(5-chloro-2-methylphenyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide?

N-(5-chloro-2-methylphenyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide has a molecular weight of 619.65 g/mol, XLogP of 7.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methylphenyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide is sourced from PubChem (CID 4102745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).