3-[[2-[(4S)-2,5-dioxo-4-propylimidazolidin-1-yl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C22H21F3N4O4 — CID 26007772

IUPAC3-[[2-[(4S)-2,5-dioxo-4-propylimidazolidin-1-yl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCC[C@@H]1NC(=O)N(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1=O
InChIInChI=1S/C22H21F3N4O4/c1-2-5-17-20(32)29(21(33)28-17)12-18(30)26-15-8-3-6-13(10-15)19(31)27-16-9-4-7-14(11-16)22(23,24)25/h3-4,6-11,17H,2,5,12H2,1H3,(H,26,30)(H,27,31)(H,28,33)/t17-/m0/s1
InChIKeySFSRQFXDPQFKHX-KRWDZBQOSA-N
MW462.43 g/mol
LogP3.62
Rot. Bonds7

About 3-[[2-[(4S)-2,5-dioxo-4-propylimidazolidin-1-yl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[[2-[(4S)-2,5-dioxo-4-propylimidazolidin-1-yl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 26007772) has the molecular formula C22H21F3N4O4 and a molecular weight of 462.43 g/mol. Its IUPAC name is 3-[[2-[(4S)-2,5-dioxo-4-propylimidazolidin-1-yl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[[2-[(4S)-2,5-dioxo-4-propylimidazolidin-1-yl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID26007772
Molecular FormulaC22H21F3N4O4
Molecular Weight462.43 g/mol
Exact Mass462.15
IUPAC Name3-[[2-[(4S)-2,5-dioxo-4-propylimidazolidin-1-yl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCC[C@@H]1NC(=O)N(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1=O
InChIInChI=1S/C22H21F3N4O4/c1-2-5-17-20(32)29(21(33)28-17)12-18(30)26-15-8-3-6-13(10-15)19(31)27-16-9-4-7-14(11-16)22(23,24)25/h3-4,6-11,17H,2,5,12H2,1H3,(H,26,30)(H,27,31)(H,28,33)/t17-/m0/s1
InChIKeySFSRQFXDPQFKHX-KRWDZBQOSA-N
XLogP3.62
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.43
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2436780
2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2704225
2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 17453847
4-[[2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide
CID 24608267
3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27152993
3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 86885102
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-[[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2411299
propyl 2-[3-oxo-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]piperazin-2-yl]acetate
CID 54819832
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N,N-dimethyl-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]pyrrolidine-2-carboxamide
CID 24561251
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112779001

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4S)-2,5-dioxo-4-propylimidazolidin-1-yl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[[2-[(4S)-2,5-dioxo-4-propylimidazolidin-1-yl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 26007772) is 3-[[2-[(4S)-2,5-dioxo-4-propylimidazolidin-1-yl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[[2-[(4S)-2,5-dioxo-4-propylimidazolidin-1-yl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[[2-[(4S)-2,5-dioxo-4-propylimidazolidin-1-yl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is CCC[C@@H]1NC(=O)N(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1=O.
What is the InChIKey of 3-[[2-[(4S)-2,5-dioxo-4-propylimidazolidin-1-yl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is SFSRQFXDPQFKHX-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H21F3N4O4/c1-2-5-17-20(32)29(21(33)28-17)12-18(30)26-15-8-3-6-13(10-15)19(31)27-16-9-4-7-14(11-16)22(23,24)25/h3-4,6-11,17H,2,5,12H2,1H3,(H,26,30)(H,27,31)(H,28,33)/t17-/m0/s1.
What are the key properties of 3-[[2-[(4S)-2,5-dioxo-4-propylimidazolidin-1-yl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[[2-[(4S)-2,5-dioxo-4-propylimidazolidin-1-yl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 462.43 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4S)-2,5-dioxo-4-propylimidazolidin-1-yl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 26007772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).