N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide

C13H16ClFN2O2 — CID 54869029

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1CC(O)CN1
InChIInChI=1S/C13H16ClFN2O2/c1-17(13(19)12-5-8(18)6-16-12)7-9-10(14)3-2-4-11(9)15/h2-4,8,12,16,18H,5-7H2,1H3
InChIKeyCNKOHMSHKMTCRU-UHFFFAOYSA-N
MW286.73 g/mol
LogP1.16
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 54869029) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
PubChem CID54869029
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1CC(O)CN1
InChIInChI=1S/C13H16ClFN2O2/c1-17(13(19)12-5-8(18)6-16-12)7-9-10(14)3-2-4-11(9)15/h2-4,8,12,16,18H,5-7H2,1H3
InChIKeyCNKOHMSHKMTCRU-UHFFFAOYSA-N
XLogP1.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide (CID 54869029) is N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)C1CC(O)CN1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is CNKOHMSHKMTCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c1-17(13(19)12-5-8(18)6-16-12)7-9-10(14)3-2-4-11(9)15/h2-4,8,12,16,18H,5-7H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 286.73 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54869029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).