N-[(2,2-dichlorocyclopropyl)methyl]-4-fluoro-3-methoxypyrrolidine-2-carboxamide

C10H15Cl2FN2O2 — CID 123666576

IUPACN-[(2,2-dichlorocyclopropyl)methyl]-4-fluoro-3-methoxypyrrolidine-2-carboxamide
SMILESCOC1C(F)CNC1C(=O)NCC1CC1(Cl)Cl
InChIInChI=1S/C10H15Cl2FN2O2/c1-17-8-6(13)4-14-7(8)9(16)15-3-5-2-10(5,11)12/h5-8,14H,2-4H2,1H3,(H,15,16)
InChIKeyAGSBNFOEPPXWJV-UHFFFAOYSA-N
MW285.15 g/mol
LogP0.62
Rot. Bonds4

About N-[(2,2-dichlorocyclopropyl)methyl]-4-fluoro-3-methoxypyrrolidine-2-carboxamide

N-[(2,2-dichlorocyclopropyl)methyl]-4-fluoro-3-methoxypyrrolidine-2-carboxamide (PubChem CID 123666576) has the molecular formula C10H15Cl2FN2O2 and a molecular weight of 285.15 g/mol. Its IUPAC name is N-[(2,2-dichlorocyclopropyl)methyl]-4-fluoro-3-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dichlorocyclopropyl)methyl]-4-fluoro-3-methoxypyrrolidine-2-carboxamide
PubChem CID123666576
Molecular FormulaC10H15Cl2FN2O2
Molecular Weight285.15 g/mol
Exact Mass284.05
IUPAC NameN-[(2,2-dichlorocyclopropyl)methyl]-4-fluoro-3-methoxypyrrolidine-2-carboxamide
SMILESCOC1C(F)CNC1C(=O)NCC1CC1(Cl)Cl
InChIInChI=1S/C10H15Cl2FN2O2/c1-17-8-6(13)4-14-7(8)9(16)15-3-5-2-10(5,11)12/h5-8,14H,2-4H2,1H3,(H,15,16)
InChIKeyAGSBNFOEPPXWJV-UHFFFAOYSA-N
XLogP0.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dichlorocyclopropyl)methyl]-4-fluoro-3-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[(2,2-dichlorocyclopropyl)methyl]-4-fluoro-3-methoxypyrrolidine-2-carboxamide (CID 123666576) is N-[(2,2-dichlorocyclopropyl)methyl]-4-fluoro-3-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2,2-dichlorocyclopropyl)methyl]-4-fluoro-3-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2,2-dichlorocyclopropyl)methyl]-4-fluoro-3-methoxypyrrolidine-2-carboxamide is COC1C(F)CNC1C(=O)NCC1CC1(Cl)Cl.
What is the InChIKey of N-[(2,2-dichlorocyclopropyl)methyl]-4-fluoro-3-methoxypyrrolidine-2-carboxamide?
The InChIKey is AGSBNFOEPPXWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2FN2O2/c1-17-8-6(13)4-14-7(8)9(16)15-3-5-2-10(5,11)12/h5-8,14H,2-4H2,1H3,(H,15,16).
What are the key properties of N-[(2,2-dichlorocyclopropyl)methyl]-4-fluoro-3-methoxypyrrolidine-2-carboxamide?
N-[(2,2-dichlorocyclopropyl)methyl]-4-fluoro-3-methoxypyrrolidine-2-carboxamide has a molecular weight of 285.15 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dichlorocyclopropyl)methyl]-4-fluoro-3-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 123666576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).