(2R)-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C14H18ClFN2O2 — CID 71864331

IUPAC(2R)-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCC[C@@H]1CO)c1c(F)cccc1Cl
InChIInChI=1S/C14H18ClFN2O2/c1-9(13-11(15)5-2-6-12(13)16)17-14(20)18-7-3-4-10(18)8-19/h2,5-6,9-10,19H,3-4,7-8H2,1H3,(H,17,20)/t9?,10-/m1/s1
InChIKeyLYIPSEKJLMHQDQ-QVDQXJPCSA-N
MW300.76 g/mol
LogP2.71
Rot. Bonds3

About (2R)-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2R)-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 71864331) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is (2R)-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID71864331
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Name(2R)-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCC[C@@H]1CO)c1c(F)cccc1Cl
InChIInChI=1S/C14H18ClFN2O2/c1-9(13-11(15)5-2-6-12(13)16)17-14(20)18-7-3-4-10(18)8-19/h2,5-6,9-10,19H,3-4,7-8H2,1H3,(H,17,20)/t9?,10-/m1/s1
InChIKeyLYIPSEKJLMHQDQ-QVDQXJPCSA-N
XLogP2.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 71864331) is (2R)-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is CC(NC(=O)N1CCC[C@@H]1CO)c1c(F)cccc1Cl.
What is the InChIKey of (2R)-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is LYIPSEKJLMHQDQ-QVDQXJPCSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-9(13-11(15)5-2-6-12(13)16)17-14(20)18-7-3-4-10(18)8-19/h2,5-6,9-10,19H,3-4,7-8H2,1H3,(H,17,20)/t9?,10-/m1/s1.
What are the key properties of (2R)-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2R)-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 300.76 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71864331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).