N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide

C20H23F2N3O — CID 109041838

IUPACN-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide
SMILESO=C(CCNc1ccc(N2CCCCC2)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C20H23F2N3O/c21-15-4-9-19(18(22)14-15)24-20(26)10-11-23-16-5-7-17(8-6-16)25-12-2-1-3-13-25/h4-9,14,23H,1-3,10-13H2,(H,24,26)
InChIKeyJEBCIZLHWMIYOL-UHFFFAOYSA-N
MW359.42 g/mol
LogP4.40
Rot. Bonds6

About N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide

N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide (PubChem CID 109041838) has the molecular formula C20H23F2N3O and a molecular weight of 359.42 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide
PubChem CID109041838
Molecular FormulaC20H23F2N3O
Molecular Weight359.42 g/mol
Exact Mass359.18
IUPAC NameN-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide
SMILESO=C(CCNc1ccc(N2CCCCC2)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C20H23F2N3O/c21-15-4-9-19(18(22)14-15)24-20(26)10-11-23-16-5-7-17(8-6-16)25-12-2-1-3-13-25/h4-9,14,23H,1-3,10-13H2,(H,24,26)
InChIKeyJEBCIZLHWMIYOL-UHFFFAOYSA-N
XLogP4.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 54.40
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-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109041851
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987612
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037829
N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109039758
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041778
N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041798
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113177074

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide (CID 109041838) is N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide is O=C(CCNc1ccc(N2CCCCC2)cc1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide?
The InChIKey is JEBCIZLHWMIYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O/c21-15-4-9-19(18(22)14-15)24-20(26)10-11-23-16-5-7-17(8-6-16)25-12-2-1-3-13-25/h4-9,14,23H,1-3,10-13H2,(H,24,26).
What are the key properties of N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide?
N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide has a molecular weight of 359.42 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide is sourced from PubChem (CID 109041838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).