N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide

C19H22FN3O — CID 109037669

IUPACN-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
SMILESO=C(CCNc1ccc(N2CCCC2)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O/c20-15-3-5-17(6-4-15)22-19(24)11-12-21-16-7-9-18(10-8-16)23-13-1-2-14-23/h3-10,21H,1-2,11-14H2,(H,22,24)
InChIKeyMRYOFZJBNFFECC-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.87
Rot. Bonds6

About N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide

N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide (PubChem CID 109037669) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
PubChem CID109037669
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
SMILESO=C(CCNc1ccc(N2CCCC2)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O/c20-15-3-5-17(6-4-15)22-19(24)11-12-21-16-7-9-18(10-8-16)23-13-1-2-14-23/h3-10,21H,1-2,11-14H2,(H,22,24)
InChIKeyMRYOFZJBNFFECC-UHFFFAOYSA-N
XLogP3.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.87
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

3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041778
N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109041838
3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 18280052
methyl 4-[3-(4-pyrrolidin-1-ylanilino)propanoylamino]benzoate
CID 109041473
methyl 4-[[3-oxo-3-(4-piperidin-1-ylanilino)propyl]amino]benzoate
CID 109041517
3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109040218
N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041798
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide (CID 109037669) is N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide is O=C(CCNc1ccc(N2CCCC2)cc1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide?
The InChIKey is MRYOFZJBNFFECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-15-3-5-17(6-4-15)22-19(24)11-12-21-16-7-9-18(10-8-16)23-13-1-2-14-23/h3-10,21H,1-2,11-14H2,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide?
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide has a molecular weight of 327.40 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide is sourced from PubChem (CID 109037669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).