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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Related Compounds

N-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428345
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95278566
(3aS,8aR)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine-6-carboxamide
CID 154760666
N-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427777
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide
CID 124828269
2-cyclopentyl-N-[1-(2,4-difluorophenyl)ethyl]acetamide
CID 78778579
(2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 111507028
2-(hydroxymethyl)-N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide
CID 111427710
(2S)-2-(hydroxymethyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide
CID 111427824
N-[1-(2,4-difluorophenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 86920986
(2R)-N-[(1R)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 99701904
(3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95969197

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).