3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide

C13H17FN2O2 — CID 22318837

IUPAC3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESNC(=O)c1ccc(OCCN2CCCC2)c(F)c1
InChIInChI=1S/C13H17FN2O2/c14-11-9-10(13(15)17)3-4-12(11)18-8-7-16-5-1-2-6-16/h3-4,9H,1-2,5-8H2,(H2,15,17)
InChIKeyMXUMJGCFYOLAIK-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.40
Rot. Bonds5

About 3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide

3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide (PubChem CID 22318837) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide.

Molecular Properties

Compound Name3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide
PubChem CID22318837
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESNC(=O)c1ccc(OCCN2CCCC2)c(F)c1
InChIInChI=1S/C13H17FN2O2/c14-11-9-10(13(15)17)3-4-12(11)18-8-7-16-5-1-2-6-16/h3-4,9H,1-2,5-8H2,(H2,15,17)
InChIKeyMXUMJGCFYOLAIK-UHFFFAOYSA-N
XLogP1.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-(2-morpholin-4-ylethoxy)benzamide
CID 22318780
3-fluoro-4-(2-morpholin-4-ylethoxy)benzoic acid
CID 107689816
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-amino-3-(2-pyrrolidin-1-ylethoxy)benzoic acid
CID 82796589
3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
CID 82916897
2-amino-3-fluoro-6-(2-pyrrolidin-1-ylethoxy)benzoic acid
CID 83214753
[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol
CID 23553272
1-[2-(2-fluoro-4-propylphenoxy)ethyl]piperidine
CID 91082463
1-[3-amino-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-methylpropan-1-one
CID 82064319
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 82070469

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The IUPAC name of 3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide (CID 22318837) is 3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide.
What is the SMILES notation for 3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The canonical SMILES for 3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide is NC(=O)c1ccc(OCCN2CCCC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The InChIKey is MXUMJGCFYOLAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-9-10(13(15)17)3-4-12(11)18-8-7-16-5-1-2-6-16/h3-4,9H,1-2,5-8H2,(H2,15,17).
What are the key properties of 3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide?
3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide is sourced from PubChem (CID 22318837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).