3-[2-[2-(3,5-difluorophenyl)-2-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]benzamide

C28H23F2N3O2 — CID 71184999

IUPAC3-[2-[2-(3,5-difluorophenyl)-2-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cccnc2CC(NC(=O)Cc2ccccc2)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C28H23F2N3O2/c29-22-14-21(15-23(30)16-22)25(33-27(34)12-18-6-2-1-3-7-18)17-26-24(10-5-11-32-26)19-8-4-9-20(13-19)28(31)35/h1-11,13-16,25H,12,17H2,(H2,31,35)(H,33,34)
InChIKeyAHSOQFYCRGFPDW-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.77
Rot. Bonds8

About 3-[2-[2-(3,5-difluorophenyl)-2-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]benzamide

3-[2-[2-(3,5-difluorophenyl)-2-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]benzamide (PubChem CID 71184999) has the molecular formula C28H23F2N3O2 and a molecular weight of 471.51 g/mol. Its IUPAC name is 3-[2-[2-(3,5-difluorophenyl)-2-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[2-[2-(3,5-difluorophenyl)-2-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]benzamide
PubChem CID71184999
Molecular FormulaC28H23F2N3O2
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC Name3-[2-[2-(3,5-difluorophenyl)-2-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cccnc2CC(NC(=O)Cc2ccccc2)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C28H23F2N3O2/c29-22-14-21(15-23(30)16-22)25(33-27(34)12-18-6-2-1-3-7-18)17-26-24(10-5-11-32-26)19-8-4-9-20(13-19)28(31)35/h1-11,13-16,25H,12,17H2,(H2,31,35)(H,33,34)
InChIKeyAHSOQFYCRGFPDW-UHFFFAOYSA-N
XLogP4.77
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-[2-(3,5-difluorophenyl)-2-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]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

5-[2-[2-[(2-chloroacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 89351238
3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 71186941
3-[2-[2-(3,5-difluorophenyl)-1-[[2-(6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 123747115
3-[2-[2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 71186703
3-[2-[2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 71186797
3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 90168103
3-[2-[2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 78023780
5-[2-[2-[(2-chlorophenyl)sulfonylcarbamoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 118950634
5-[2-[2-[[2-[3-(difluoromethyl)-4,4-difluoro-7-oxo-5,6-dihydroindazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 89350695
3-[2-[(1S)-1-[[2-(5,6-difluoroindazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide
CID 135215958
3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-ethyl-5-[(Z)-prop-1-enyl]imidazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 71204570
3-[2-[2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethoxy)-2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 90150099

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3,5-difluorophenyl)-2-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]benzamide?
The IUPAC name of 3-[2-[2-(3,5-difluorophenyl)-2-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]benzamide (CID 71184999) is 3-[2-[2-(3,5-difluorophenyl)-2-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-[2-[2-(3,5-difluorophenyl)-2-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-[2-[2-(3,5-difluorophenyl)-2-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]benzamide is NC(=O)c1cccc(-c2cccnc2CC(NC(=O)Cc2ccccc2)c2cc(F)cc(F)c2)c1.
What is the InChIKey of 3-[2-[2-(3,5-difluorophenyl)-2-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]benzamide?
The InChIKey is AHSOQFYCRGFPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2N3O2/c29-22-14-21(15-23(30)16-22)25(33-27(34)12-18-6-2-1-3-7-18)17-26-24(10-5-11-32-26)19-8-4-9-20(13-19)28(31)35/h1-11,13-16,25H,12,17H2,(H2,31,35)(H,33,34).
What are the key properties of 3-[2-[2-(3,5-difluorophenyl)-2-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]benzamide?
3-[2-[2-(3,5-difluorophenyl)-2-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]benzamide has a molecular weight of 471.51 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3,5-difluorophenyl)-2-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]benzamide is sourced from PubChem (CID 71184999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).