Acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide

C₂₀H₂₇ClF₂N₂O₂ — CID 170580687

About Acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide

Acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide (PubChem CID 170580687) has the molecular formula C₂₀H₂₇ClF₂N₂O₂ and a molecular weight of 400.90 g/mol. Its IUPAC name is acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: Acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide
• PubChem CID: 170580687
• Molecular Formula: C₂₀H₂₇ClF₂N₂O₂
• Molecular Weight: 400.90 g/mol
• Exact Mass: 400.17
• IUPAC Name: acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide
• SMILES: CC(N)=O.O=C(NC(c1c(F)ccc(Cl)c1F)C1CCCC1)C1CCCC1
• InChI: InChI=1S/C18H22ClF2NO.C2H5NO/c19-13-9-10-14(20)15(16(13)21)17(11-5-1-2-6-11)22-18(23)12-7-3-4-8-12;1-2(3)4/h9-12,17H,1-8H2,(H,22,23);1H3,(H2,3,4)
• InChIKey: BGSKSXMCGHKFEA-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 72.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.90
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide?

The IUPAC name of Acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide (CID 170580687) is acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide.

What is the SMILES notation for Acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide?

The canonical SMILES for Acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide is CC(N)=O.O=C(NC(c1c(F)ccc(Cl)c1F)C1CCCC1)C1CCCC1.

What is the InChIKey of Acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide?

The InChIKey is BGSKSXMCGHKFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClF2NO.C2H5NO/c19-13-9-10-14(20)15(16(13)21)17(11-5-1-2-6-11)22-18(23)12-7-3-4-8-12;1-2(3)4/h9-12,17H,1-8H2,(H,22,23);1H3,(H2,3,4).

What are the key properties of Acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide?

Acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide has a molecular weight of 400.90 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide is sourced from PubChem (CID 170580687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170580687 — identifiers, structure, computed properties (public domain)

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