N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide

C14H18FN3O2 — CID 61364257

IUPACN-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide
SMILESCC(=O)Nc1cc(NC(=O)CC2CCCN2)ccc1F
InChIInChI=1S/C14H18FN3O2/c1-9(19)17-13-7-11(4-5-12(13)15)18-14(20)8-10-3-2-6-16-10/h4-5,7,10,16H,2-3,6,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyXUUCGBLKWYACJX-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.86
Rot. Bonds4

About N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide

N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 61364257) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide
PubChem CID61364257
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide
SMILESCC(=O)Nc1cc(NC(=O)CC2CCCN2)ccc1F
InChIInChI=1S/C14H18FN3O2/c1-9(19)17-13-7-11(4-5-12(13)15)18-14(20)8-10-3-2-6-16-10/h4-5,7,10,16H,2-3,6,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyXUUCGBLKWYACJX-UHFFFAOYSA-N
XLogP1.86
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide
CID 106637015
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119713243
N-(4-chloro-3-fluorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708349
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide
CID 119797457
N-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119702837
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-piperidin-2-ylacetamide
CID 63047528
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide (CID 61364257) is N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide is CC(=O)Nc1cc(NC(=O)CC2CCCN2)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is XUUCGBLKWYACJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-9(19)17-13-7-11(4-5-12(13)15)18-14(20)8-10-3-2-6-16-10/h4-5,7,10,16H,2-3,6,8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide?
N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 279.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61364257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).