N-(2,4-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide

C14H18F2N2O2 — CID 102787690

IUPACN-(2,4-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
SMILESCC1CCN(CC(=O)Nc2ccc(F)cc2F)C1CO
InChIInChI=1S/C14H18F2N2O2/c1-9-4-5-18(13(9)8-19)7-14(20)17-12-3-2-10(15)6-11(12)16/h2-3,6,9,13,19H,4-5,7-8H2,1H3,(H,17,20)
InChIKeyKBEXBUYJEVLWJF-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.61
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide

N-(2,4-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide (PubChem CID 102787690) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
PubChem CID102787690
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC NameN-(2,4-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
SMILESCC1CCN(CC(=O)Nc2ccc(F)cc2F)C1CO
InChIInChI=1S/C14H18F2N2O2/c1-9-4-5-18(13(9)8-19)7-14(20)17-12-3-2-10(15)6-11(12)16/h2-3,6,9,13,19H,4-5,7-8H2,1H3,(H,17,20)
InChIKeyKBEXBUYJEVLWJF-UHFFFAOYSA-N
XLogP1.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788937
N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788356
methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027861
N-(2,4-difluorophenyl)-2-[(2R)-2-methylpiperazin-1-yl]acetamide
CID 82713919
N-(2,4-difluorophenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 22197954
N-(2,4-difluorophenyl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 47131519
N-(2,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824448
1-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784677
N-(2,6-dichlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788684
N-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 17282582
methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731416
N-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102777811

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide (CID 102787690) is N-(2,4-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide is CC1CCN(CC(=O)Nc2ccc(F)cc2F)C1CO.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide?
The InChIKey is KBEXBUYJEVLWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-9-4-5-18(13(9)8-19)7-14(20)17-12-3-2-10(15)6-11(12)16/h2-3,6,9,13,19H,4-5,7-8H2,1H3,(H,17,20).
What are the key properties of N-(2,4-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide?
N-(2,4-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide has a molecular weight of 284.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 102787690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).