2-(3-fluoropyrrolidin-3-yl)-N-(2-methylphenyl)acetamide

C13H17FN2O — CID 84727341

IUPAC2-(3-fluoropyrrolidin-3-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CC1(F)CCNC1
InChIInChI=1S/C13H17FN2O/c1-10-4-2-3-5-11(10)16-12(17)8-13(14)6-7-15-9-13/h2-5,15H,6-9H2,1H3,(H,16,17)
InChIKeyPXXAXAPYENDJSH-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.03
Rot. Bonds3

About 2-(3-fluoropyrrolidin-3-yl)-N-(2-methylphenyl)acetamide

2-(3-fluoropyrrolidin-3-yl)-N-(2-methylphenyl)acetamide (PubChem CID 84727341) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(3-fluoropyrrolidin-3-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoropyrrolidin-3-yl)-N-(2-methylphenyl)acetamide
PubChem CID84727341
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-(3-fluoropyrrolidin-3-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CC1(F)CCNC1
InChIInChI=1S/C13H17FN2O/c1-10-4-2-3-5-11(10)16-12(17)8-13(14)6-7-15-9-13/h2-5,15H,6-9H2,1H3,(H,16,17)
InChIKeyPXXAXAPYENDJSH-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670460
ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide
CID 108952924
2-(azetidin-3-yl)-N-(2-methylphenyl)acetamide
CID 64615932
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
N-(2-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62210327
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-methylphenyl)acetamide
CID 2701809
2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid
CID 64676889
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate
CID 112996068
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]acetamide
CID 60848997
2-(3-hydroxypyrrolidin-3-yl)-N-phenylacetamide
CID 84724654

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropyrrolidin-3-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(3-fluoropyrrolidin-3-yl)-N-(2-methylphenyl)acetamide (CID 84727341) is 2-(3-fluoropyrrolidin-3-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-fluoropyrrolidin-3-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-fluoropyrrolidin-3-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CC1(F)CCNC1.
What is the InChIKey of 2-(3-fluoropyrrolidin-3-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is PXXAXAPYENDJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-10-4-2-3-5-11(10)16-12(17)8-13(14)6-7-15-9-13/h2-5,15H,6-9H2,1H3,(H,16,17).
What are the key properties of 2-(3-fluoropyrrolidin-3-yl)-N-(2-methylphenyl)acetamide?
2-(3-fluoropyrrolidin-3-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 236.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropyrrolidin-3-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 84727341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).