2,4-difluoro-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide

C31H35F2N3O2 — CID 22048779

IUPAC2,4-difluoro-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(CCC(NC(=O)c3ccc(F)cc3F)c3ccccc3)CC2)c1
InChIInChI=1S/C31H35F2N3O2/c1-21(2)30(37)34-26-10-6-9-24(19-26)22-13-16-36(17-14-22)18-15-29(23-7-4-3-5-8-23)35-31(38)27-12-11-25(32)20-28(27)33/h3-12,19-22,29H,13-18H2,1-2H3,(H,34,37)(H,35,38)
InChIKeyLWWKBGUNIKJJKB-UHFFFAOYSA-N
MW519.64 g/mol
LogP6.30
Rot. Bonds9

About 2,4-difluoro-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide

2,4-difluoro-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide (PubChem CID 22048779) has the molecular formula C31H35F2N3O2 and a molecular weight of 519.64 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide
PubChem CID22048779
Molecular FormulaC31H35F2N3O2
Molecular Weight519.64 g/mol
Exact Mass519.27
IUPAC Name2,4-difluoro-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(CCC(NC(=O)c3ccc(F)cc3F)c3ccccc3)CC2)c1
InChIInChI=1S/C31H35F2N3O2/c1-21(2)30(37)34-26-10-6-9-24(19-26)22-13-16-36(17-14-22)18-15-29(23-7-4-3-5-8-23)35-31(38)27-12-11-25(32)20-28(27)33/h3-12,19-22,29H,13-18H2,1-2H3,(H,34,37)(H,35,38)
InChIKeyLWWKBGUNIKJJKB-UHFFFAOYSA-N
XLogP6.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.64
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-difluoro-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-difluoro-N-[(1S)-3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide
CID 58651302
N-[3-[1-[3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049081
N-[3-[1-[(3S)-3-(tert-butylcarbamothioylamino)-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 58651275
1-(4-chlorophenyl)-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]-3-propylpyrazole-4-carboxamide
CID 22049320
2-methyl-N-[3-[1-[3-[(4-phenoxyphenyl)carbamoylamino]-3-phenylpropyl]piperidin-4-yl]phenyl]propanamide
CID 22049038
2-(4-fluorophenyl)-5-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenylpentanoate
CID 22725373
[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl] 2-(4-fluorophenyl)acetate
CID 20723004
2-methyl-N-[3-[1-[(3S)-3-[(2-nitrophenyl)carbamoylamino]-3-phenylpropyl]piperidin-4-yl]phenyl]propanamide
CID 58651288
2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide
CID 22049411
N-[3-[1-[6-(4-fluorophenoxy)-6-phenylhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048856
N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 16757469
N-[3-[1-[2-(4-fluorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049370

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide (CID 22048779) is 2,4-difluoro-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide is CC(C)C(=O)Nc1cccc(C2CCN(CCC(NC(=O)c3ccc(F)cc3F)c3ccccc3)CC2)c1.
What is the InChIKey of 2,4-difluoro-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide?
The InChIKey is LWWKBGUNIKJJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35F2N3O2/c1-21(2)30(37)34-26-10-6-9-24(19-26)22-13-16-36(17-14-22)18-15-29(23-7-4-3-5-8-23)35-31(38)27-12-11-25(32)20-28(27)33/h3-12,19-22,29H,13-18H2,1-2H3,(H,34,37)(H,35,38).
What are the key properties of 2,4-difluoro-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide?
2,4-difluoro-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide has a molecular weight of 519.64 g/mol, XLogP of 6.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide is sourced from PubChem (CID 22048779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).