N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide

C18H20FN3O — CID 109008370

IUPACN-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
SMILESO=C(CNc1ccc(N2CCCC2)cc1)Nc1ccccc1F
InChIInChI=1S/C18H20FN3O/c19-16-5-1-2-6-17(16)21-18(23)13-20-14-7-9-15(10-8-14)22-11-3-4-12-22/h1-2,5-10,20H,3-4,11-13H2,(H,21,23)
InChIKeyVRSIFFRTALCFPS-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.48
Rot. Bonds5

About N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide

N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide (PubChem CID 109008370) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
PubChem CID109008370
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC NameN-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
SMILESO=C(CNc1ccc(N2CCCC2)cc1)Nc1ccccc1F
InChIInChI=1S/C18H20FN3O/c19-16-5-1-2-6-17(16)21-18(23)13-20-14-7-9-15(10-8-14)22-11-3-4-12-22/h1-2,5-10,20H,3-4,11-13H2,(H,21,23)
InChIKeyVRSIFFRTALCFPS-UHFFFAOYSA-N
XLogP3.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010455
N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008236
N-[2-fluoro-5-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]phenyl]-2-phenylacetamide
CID 60536969
N-(2-fluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083962
N-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 109000353
N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108954773
2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 37480616
N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037829
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide
CID 109010517
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289744
N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109007147

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide (CID 109008370) is N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide is O=C(CNc1ccc(N2CCCC2)cc1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The InChIKey is VRSIFFRTALCFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-16-5-1-2-6-17(16)21-18(23)13-20-14-7-9-15(10-8-14)22-11-3-4-12-22/h1-2,5-10,20H,3-4,11-13H2,(H,21,23).
What are the key properties of N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide has a molecular weight of 313.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide is sourced from PubChem (CID 109008370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).