N-(5-fluoro-2-pyrrolidin-1-ylphenyl)formamide

C11H13FN2O — CID 167044569

IUPACN-(5-fluoro-2-pyrrolidin-1-ylphenyl)formamide
SMILESO=CNc1cc(F)ccc1N1CCCC1
InChIInChI=1S/C11H13FN2O/c12-9-3-4-11(10(7-9)13-8-15)14-5-1-2-6-14/h3-4,7-8H,1-2,5-6H2,(H,13,15)
InChIKeyTVIPOTVKHTUDJJ-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.99
Rot. Bonds3

About N-(5-fluoro-2-pyrrolidin-1-ylphenyl)formamide

N-(5-fluoro-2-pyrrolidin-1-ylphenyl)formamide (PubChem CID 167044569) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is N-(5-fluoro-2-pyrrolidin-1-ylphenyl)formamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyrrolidin-1-ylphenyl)formamide
PubChem CID167044569
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC NameN-(5-fluoro-2-pyrrolidin-1-ylphenyl)formamide
SMILESO=CNc1cc(F)ccc1N1CCCC1
InChIInChI=1S/C11H13FN2O/c12-9-3-4-11(10(7-9)13-8-15)14-5-1-2-6-14/h3-4,7-8H,1-2,5-6H2,(H,13,15)
InChIKeyTVIPOTVKHTUDJJ-UHFFFAOYSA-N
XLogP1.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide
CID 64992307
4-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092338
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 113092391
3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092337
N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092590
4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092341
N-(3-chloro-4-pyrrolidin-1-ylphenyl)formamide
CID 168654015
1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360
2-fluoro-N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092591
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092377
N-(5-chloro-2-morpholin-4-ylphenyl)formamide
CID 168653887
N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide
CID 113092620

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyrrolidin-1-ylphenyl)formamide?
The IUPAC name of N-(5-fluoro-2-pyrrolidin-1-ylphenyl)formamide (CID 167044569) is N-(5-fluoro-2-pyrrolidin-1-ylphenyl)formamide.
What is the SMILES notation for N-(5-fluoro-2-pyrrolidin-1-ylphenyl)formamide?
The canonical SMILES for N-(5-fluoro-2-pyrrolidin-1-ylphenyl)formamide is O=CNc1cc(F)ccc1N1CCCC1.
What is the InChIKey of N-(5-fluoro-2-pyrrolidin-1-ylphenyl)formamide?
The InChIKey is TVIPOTVKHTUDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-9-3-4-11(10(7-9)13-8-15)14-5-1-2-6-14/h3-4,7-8H,1-2,5-6H2,(H,13,15).
What are the key properties of N-(5-fluoro-2-pyrrolidin-1-ylphenyl)formamide?
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)formamide has a molecular weight of 208.24 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyrrolidin-1-ylphenyl)formamide is sourced from PubChem (CID 167044569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).