3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide

C19H21F2N3O — CID 109041778

IUPAC3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCNc1c(F)cccc1F)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H21F2N3O/c20-16-4-3-5-17(21)19(16)22-11-10-18(25)23-14-6-8-15(9-7-14)24-12-1-2-13-24/h3-9,22H,1-2,10-13H2,(H,23,25)
InChIKeyPNIOWNKSQOUOIE-UHFFFAOYSA-N
MW345.39 g/mol
LogP4.01
Rot. Bonds6

About 3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide

3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 109041778) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is 3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID109041778
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCNc1c(F)cccc1F)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H21F2N3O/c20-16-4-3-5-17(21)19(16)22-11-10-18(25)23-14-6-8-15(9-7-14)24-12-1-2-13-24/h3-9,22H,1-2,10-13H2,(H,23,25)
InChIKeyPNIOWNKSQOUOIE-UHFFFAOYSA-N
XLogP4.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.01
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-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041798
3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109020960
3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109034292
3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 109020961
3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041774
3-(2,3-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109036061
methyl 3-[[3-oxo-3-(4-pyrrolidin-1-ylanilino)propyl]amino]benzoate
CID 109041429

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 109041778) is 3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide is O=C(CCNc1c(F)cccc1F)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is PNIOWNKSQOUOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c20-16-4-3-5-17(21)19(16)22-11-10-18(25)23-14-6-8-15(9-7-14)24-12-1-2-13-24/h3-9,22H,1-2,10-13H2,(H,23,25).
What are the key properties of 3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 345.39 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 109041778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).