2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide

C19H27FN2O3 — CID 155992974

IUPAC2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide
SMILESCC(=O)N1CCCC1(CO)CC(=O)NCC(C)(C)c1ccccc1F
InChIInChI=1S/C19H27FN2O3/c1-14(24)22-10-6-9-19(22,13-23)11-17(25)21-12-18(2,3)15-7-4-5-8-16(15)20/h4-5,7-8,23H,6,9-13H2,1-3H3,(H,21,25)
InChIKeyADFIAKQDNBLDAY-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.98
Rot. Bonds6

About 2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide

2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide (PubChem CID 155992974) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide
PubChem CID155992974
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide
SMILESCC(=O)N1CCCC1(CO)CC(=O)NCC(C)(C)c1ccccc1F
InChIInChI=1S/C19H27FN2O3/c1-14(24)22-10-6-9-19(22,13-23)11-17(25)21-12-18(2,3)15-7-4-5-8-16(15)20/h4-5,7-8,23H,6,9-13H2,1-3H3,(H,21,25)
InChIKeyADFIAKQDNBLDAY-UHFFFAOYSA-N
XLogP1.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)-2-methylpropyl]-2-morpholin-4-ylacetamide
CID 110444248
(3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 94818335
N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 110442195
1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide
CID 110246572
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119766091
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119766073
5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid
CID 119183626
2-amino-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591195
1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea
CID 110913086
2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 132948417
N-[2-(2-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159146
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 60614643

Frequently Asked Questions

What is the IUPAC name of 2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide (CID 155992974) is 2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide is CC(=O)N1CCCC1(CO)CC(=O)NCC(C)(C)c1ccccc1F.
What is the InChIKey of 2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide?
The InChIKey is ADFIAKQDNBLDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3/c1-14(24)22-10-6-9-19(22,13-23)11-17(25)21-12-18(2,3)15-7-4-5-8-16(15)20/h4-5,7-8,23H,6,9-13H2,1-3H3,(H,21,25).
What are the key properties of 2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide?
2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide has a molecular weight of 350.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 155992974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).