N-[(4S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

C21H16ClF3N4O3 — CID 41091994

IUPACN-[(4S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESO=C(N[C@]1(C(F)(F)F)NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)c1ccccc1
InChIInChI=1S/C21H16ClF3N4O3/c22-14-6-7-16-15(10-14)13(11-26-16)8-9-29-18(31)20(21(23,24)25,28-19(29)32)27-17(30)12-4-2-1-3-5-12/h1-7,10-11,26H,8-9H2,(H,27,30)(H,28,32)/t20-/m0/s1
InChIKeyYVVMHRZHIILQMA-FQEVSTJZSA-N
MW464.83 g/mol
LogP3.60
Rot. Bonds5

About N-[(4S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

N-[(4S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (PubChem CID 41091994) has the molecular formula C21H16ClF3N4O3 and a molecular weight of 464.83 g/mol. Its IUPAC name is N-[(4S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[(4S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
PubChem CID41091994
Molecular FormulaC21H16ClF3N4O3
Molecular Weight464.83 g/mol
Exact Mass464.09
IUPAC NameN-[(4S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESO=C(N[C@]1(C(F)(F)F)NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)c1ccccc1
InChIInChI=1S/C21H16ClF3N4O3/c22-14-6-7-16-15(10-14)13(11-26-16)8-9-29-18(31)20(21(23,24)25,28-19(29)32)27-17(30)12-4-2-1-3-5-12/h1-7,10-11,26H,8-9H2,(H,27,30)(H,28,32)/t20-/m0/s1
InChIKeyYVVMHRZHIILQMA-FQEVSTJZSA-N
XLogP3.60
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.83
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 4908776
N-[(4S)-1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-chlorobenzamide
CID 7236136
4-tert-butyl-N-[(4S)-2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2223330
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 3836618
4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 42559353
N-[(4R)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-(trifluoromethyl)benzamide
CID 2010336
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide
CID 2216992
1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 91652383
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 50745087
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-fluorophenyl)methyl]benzamide
CID 86699424
(3R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92717730

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The IUPAC name of N-[(4S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (CID 41091994) is N-[(4S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.
What is the SMILES notation for N-[(4S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The canonical SMILES for N-[(4S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is O=C(N[C@]1(C(F)(F)F)NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)c1ccccc1.
What is the InChIKey of N-[(4S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The InChIKey is YVVMHRZHIILQMA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H16ClF3N4O3/c22-14-6-7-16-15(10-14)13(11-26-16)8-9-29-18(31)20(21(23,24)25,28-19(29)32)27-17(30)12-4-2-1-3-5-12/h1-7,10-11,26H,8-9H2,(H,27,30)(H,28,32)/t20-/m0/s1.
What are the key properties of N-[(4S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
N-[(4S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide has a molecular weight of 464.83 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is sourced from PubChem (CID 41091994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).