N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide

C14H19F2N3O — CID 81490166

IUPACN-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
SMILESCNCC1CCCN1CC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2N3O/c1-17-8-13-3-2-4-19(13)9-14(20)18-12-6-10(15)5-11(16)7-12/h5-7,13,17H,2-4,8-9H2,1H3,(H,18,20)
InChIKeyOBYKJWBPLDMIFH-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.59
Rot. Bonds5

About N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide

N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide (PubChem CID 81490166) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
PubChem CID81490166
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC NameN-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
SMILESCNCC1CCCN1CC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2N3O/c1-17-8-13-3-2-4-19(13)9-14(20)18-12-6-10(15)5-11(16)7-12/h5-7,13,17H,2-4,8-9H2,1H3,(H,18,20)
InChIKeyOBYKJWBPLDMIFH-UHFFFAOYSA-N
XLogP1.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928586
N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928502
N-(3,5-difluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942185
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide;hydrochloride
CID 119926972
N-(2,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928417
N-(4-chlorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928500
N-(1,3-benzodioxol-5-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928499
N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490988
N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928583
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119928312
N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250254
N-(3-chloro-4-cyanophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 115316750

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide (CID 81490166) is N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide is CNCC1CCCN1CC(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is OBYKJWBPLDMIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-17-8-13-3-2-4-19(13)9-14(20)18-12-6-10(15)5-11(16)7-12/h5-7,13,17H,2-4,8-9H2,1H3,(H,18,20).
What are the key properties of N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 283.32 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 81490166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).