N-(2,6-dichloro-4-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide

C12H13Cl2FN2O2 — CID 83079301

IUPACN-(2,6-dichloro-4-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2c(Cl)cc(F)cc2Cl)C1
InChIInChI=1S/C12H13Cl2FN2O2/c1-19-7-4-10(16-5-7)12(18)17-11-8(13)2-6(15)3-9(11)14/h2-3,7,10,16H,4-5H2,1H3,(H,17,18)
InChIKeyDVRSWPAKGBVTQN-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.45
Rot. Bonds3

About N-(2,6-dichloro-4-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide

N-(2,6-dichloro-4-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 83079301) has the molecular formula C12H13Cl2FN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID83079301
Molecular FormulaC12H13Cl2FN2O2
Molecular Weight307.15 g/mol
Exact Mass306.03
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2c(Cl)cc(F)cc2Cl)C1
InChIInChI=1S/C12H13Cl2FN2O2/c1-19-7-4-10(16-5-7)12(18)17-11-8(13)2-6(15)3-9(11)14/h2-3,7,10,16H,4-5H2,1H3,(H,17,18)
InChIKeyDVRSWPAKGBVTQN-UHFFFAOYSA-N
XLogP2.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide (CID 83079301) is N-(2,6-dichloro-4-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)Nc2c(Cl)cc(F)cc2Cl)C1.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is DVRSWPAKGBVTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2FN2O2/c1-19-7-4-10(16-5-7)12(18)17-11-8(13)2-6(15)3-9(11)14/h2-3,7,10,16H,4-5H2,1H3,(H,17,18).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide?
N-(2,6-dichloro-4-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 307.15 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 83079301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).