2-fluoro-6-(4-pyrrolidin-2-ylphenyl)benzamide

C17H17FN2O — CID 72939908

IUPAC2-fluoro-6-(4-pyrrolidin-2-ylphenyl)benzamide
SMILESNC(=O)c1c(F)cccc1-c1ccc(C2CCCN2)cc1
InChIInChI=1S/C17H17FN2O/c18-14-4-1-3-13(16(14)17(19)21)11-6-8-12(9-7-11)15-5-2-10-20-15/h1,3-4,6-9,15,20H,2,5,10H2,(H2,19,21)
InChIKeyRUJXRDPUAZVBOA-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.02
Rot. Bonds3

About 2-fluoro-6-(4-pyrrolidin-2-ylphenyl)benzamide

2-fluoro-6-(4-pyrrolidin-2-ylphenyl)benzamide (PubChem CID 72939908) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-fluoro-6-(4-pyrrolidin-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-(4-pyrrolidin-2-ylphenyl)benzamide
PubChem CID72939908
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name2-fluoro-6-(4-pyrrolidin-2-ylphenyl)benzamide
SMILESNC(=O)c1c(F)cccc1-c1ccc(C2CCCN2)cc1
InChIInChI=1S/C17H17FN2O/c18-14-4-1-3-13(16(14)17(19)21)11-6-8-12(9-7-11)15-5-2-10-20-15/h1,3-4,6-9,15,20H,2,5,10H2,(H2,19,21)
InChIKeyRUJXRDPUAZVBOA-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-pyrrolidin-2-ylphenyl)benzoic acid
CID 110162717
2-fluoro-6-pyridin-4-ylbenzamide
CID 46315506
2-fluoro-5-pyrrolidin-2-ylbenzoic acid
CID 77131521
3-[4-[(2R)-pyrrolidin-2-yl]phenyl]benzoic acid
CID 125012094
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide
CID 79515615
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
3-[(2S)-piperidin-2-yl]benzamide;hydrochloride
CID 154574752
3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid
CID 117322920
1-[2-fluoro-6-(4-fluorophenyl)phenyl]ethanone
CID 175686731
CID 161042703
CID 161042703

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-pyrrolidin-2-ylphenyl)benzamide?
The IUPAC name of 2-fluoro-6-(4-pyrrolidin-2-ylphenyl)benzamide (CID 72939908) is 2-fluoro-6-(4-pyrrolidin-2-ylphenyl)benzamide.
What is the SMILES notation for 2-fluoro-6-(4-pyrrolidin-2-ylphenyl)benzamide?
The canonical SMILES for 2-fluoro-6-(4-pyrrolidin-2-ylphenyl)benzamide is NC(=O)c1c(F)cccc1-c1ccc(C2CCCN2)cc1.
What is the InChIKey of 2-fluoro-6-(4-pyrrolidin-2-ylphenyl)benzamide?
The InChIKey is RUJXRDPUAZVBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-14-4-1-3-13(16(14)17(19)21)11-6-8-12(9-7-11)15-5-2-10-20-15/h1,3-4,6-9,15,20H,2,5,10H2,(H2,19,21).
What are the key properties of 2-fluoro-6-(4-pyrrolidin-2-ylphenyl)benzamide?
2-fluoro-6-(4-pyrrolidin-2-ylphenyl)benzamide has a molecular weight of 284.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-pyrrolidin-2-ylphenyl)benzamide is sourced from PubChem (CID 72939908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).