N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C14H18F2N2O2 — CID 111427674

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC1CO)c1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-9(12-5-4-10(15)7-13(12)16)17-14(20)18-6-2-3-11(18)8-19/h4-5,7,9,11,19H,2-3,6,8H2,1H3,(H,17,20)
InChIKeyBKDKQQDYJFUJEH-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.19
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111427674) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111427674
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC1CO)c1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-9(12-5-4-10(15)7-13(12)16)17-14(20)18-6-2-3-11(18)8-19/h4-5,7,9,11,19H,2-3,6,8H2,1H3,(H,17,20)
InChIKeyBKDKQQDYJFUJEH-UHFFFAOYSA-N
XLogP2.19
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111427674) is N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is CC(NC(=O)N1CCCC1CO)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is BKDKQQDYJFUJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-9(12-5-4-10(15)7-13(12)16)17-14(20)18-6-2-3-11(18)8-19/h4-5,7,9,11,19H,2-3,6,8H2,1H3,(H,17,20).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111427674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).