2-amino-3,3-dicyclopropyl-N-[5-[2-(dimethylamino)ethyl]-2-fluoro-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]propanamide

C23H32F4N4O2 — CID 166470822

IUPAC2-amino-3,3-dicyclopropyl-N-[5-[2-(dimethylamino)ethyl]-2-fluoro-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]propanamide
SMILESCN(C)CCc1cc(NC(=O)C(N)C(C2CC2)C2CC2)c(F)cc1CC(=O)NCC(F)(F)F
InChIInChI=1S/C23H32F4N4O2/c1-31(2)8-7-15-10-18(17(24)9-16(15)11-19(32)29-12-23(25,26)27)30-22(33)21(28)20(13-3-4-13)14-5-6-14/h9-10,13-14,20-21H,3-8,11-12,28H2,1-2H3,(H,29,32)(H,30,33)
InChIKeySWWFBHHYXNVCQV-UHFFFAOYSA-N
MW472.53 g/mol
LogP2.85
Rot. Bonds11

About 2-amino-3,3-dicyclopropyl-N-[5-[2-(dimethylamino)ethyl]-2-fluoro-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]propanamide

2-amino-3,3-dicyclopropyl-N-[5-[2-(dimethylamino)ethyl]-2-fluoro-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]propanamide (PubChem CID 166470822) has the molecular formula C23H32F4N4O2 and a molecular weight of 472.53 g/mol. Its IUPAC name is 2-amino-3,3-dicyclopropyl-N-[5-[2-(dimethylamino)ethyl]-2-fluoro-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3-dicyclopropyl-N-[5-[2-(dimethylamino)ethyl]-2-fluoro-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]propanamide
PubChem CID166470822
Molecular FormulaC23H32F4N4O2
Molecular Weight472.53 g/mol
Exact Mass472.25
IUPAC Name2-amino-3,3-dicyclopropyl-N-[5-[2-(dimethylamino)ethyl]-2-fluoro-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]propanamide
SMILESCN(C)CCc1cc(NC(=O)C(N)C(C2CC2)C2CC2)c(F)cc1CC(=O)NCC(F)(F)F
InChIInChI=1S/C23H32F4N4O2/c1-31(2)8-7-15-10-18(17(24)9-16(15)11-19(32)29-12-23(25,26)27)30-22(33)21(28)20(13-3-4-13)14-5-6-14/h9-10,13-14,20-21H,3-8,11-12,28H2,1-2H3,(H,29,32)(H,30,33)
InChIKeySWWFBHHYXNVCQV-UHFFFAOYSA-N
XLogP2.85
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-3,3-dicyclopropyl-N-[5-[2-(dimethylamino)ethyl]-2-fluoro-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dicyclopropyl-N-[5-[2-(dimethylamino)ethyl]-2-fluoro-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]propanamide?
The IUPAC name of 2-amino-3,3-dicyclopropyl-N-[5-[2-(dimethylamino)ethyl]-2-fluoro-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]propanamide (CID 166470822) is 2-amino-3,3-dicyclopropyl-N-[5-[2-(dimethylamino)ethyl]-2-fluoro-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]propanamide.
What is the SMILES notation for 2-amino-3,3-dicyclopropyl-N-[5-[2-(dimethylamino)ethyl]-2-fluoro-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]propanamide?
The canonical SMILES for 2-amino-3,3-dicyclopropyl-N-[5-[2-(dimethylamino)ethyl]-2-fluoro-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]propanamide is CN(C)CCc1cc(NC(=O)C(N)C(C2CC2)C2CC2)c(F)cc1CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-3,3-dicyclopropyl-N-[5-[2-(dimethylamino)ethyl]-2-fluoro-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]propanamide?
The InChIKey is SWWFBHHYXNVCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F4N4O2/c1-31(2)8-7-15-10-18(17(24)9-16(15)11-19(32)29-12-23(25,26)27)30-22(33)21(28)20(13-3-4-13)14-5-6-14/h9-10,13-14,20-21H,3-8,11-12,28H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of 2-amino-3,3-dicyclopropyl-N-[5-[2-(dimethylamino)ethyl]-2-fluoro-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]propanamide?
2-amino-3,3-dicyclopropyl-N-[5-[2-(dimethylamino)ethyl]-2-fluoro-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]propanamide has a molecular weight of 472.53 g/mol, XLogP of 2.85, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dicyclopropyl-N-[5-[2-(dimethylamino)ethyl]-2-fluoro-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]propanamide is sourced from PubChem (CID 166470822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).