N-[(4S)-1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-chlorobenzamide

C15H15ClF3N3O3 — CID 7236136

IUPACN-[(4S)-1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-chlorobenzamide
SMILESCCCCN1C(=O)N[C@](NC(=O)c2cccc(Cl)c2)(C(F)(F)F)C1=O
InChIInChI=1S/C15H15ClF3N3O3/c1-2-3-7-22-12(24)14(15(17,18)19,21-13(22)25)20-11(23)9-5-4-6-10(16)8-9/h4-6,8H,2-3,7H2,1H3,(H,20,23)(H,21,25)/t14-/m0/s1
InChIKeyUJPWPDPUXLNLSY-AWEZNQCLSA-N
MW377.75 g/mol
LogP2.68
Rot. Bonds5

About N-[(4S)-1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-chlorobenzamide

N-[(4S)-1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-chlorobenzamide (PubChem CID 7236136) has the molecular formula C15H15ClF3N3O3 and a molecular weight of 377.75 g/mol. Its IUPAC name is N-[(4S)-1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[(4S)-1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-chlorobenzamide
PubChem CID7236136
Molecular FormulaC15H15ClF3N3O3
Molecular Weight377.75 g/mol
Exact Mass377.08
IUPAC NameN-[(4S)-1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-chlorobenzamide
SMILESCCCCN1C(=O)N[C@](NC(=O)c2cccc(Cl)c2)(C(F)(F)F)C1=O
InChIInChI=1S/C15H15ClF3N3O3/c1-2-3-7-22-12(24)14(15(17,18)19,21-13(22)25)20-11(23)9-5-4-6-10(16)8-9/h4-6,8H,2-3,7H2,1H3,(H,20,23)(H,21,25)/t14-/m0/s1
InChIKeyUJPWPDPUXLNLSY-AWEZNQCLSA-N
XLogP2.68
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.75
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 40961378
N-[(4S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 41091994
N-[(4R)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-(trifluoromethyl)benzamide
CID 2010336
3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3815407
N-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 7632065
N-[(4S)-1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 28947474
4-chloro-N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3785162
2,4-dichloro-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3934217
4-tert-butyl-N-[(4S)-2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2223330
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2962074
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 3836618
4-chloro-N-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 7012719

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-chlorobenzamide?
The IUPAC name of N-[(4S)-1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-chlorobenzamide (CID 7236136) is N-[(4S)-1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-chlorobenzamide.
What is the SMILES notation for N-[(4S)-1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-chlorobenzamide?
The canonical SMILES for N-[(4S)-1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-chlorobenzamide is CCCCN1C(=O)N[C@](NC(=O)c2cccc(Cl)c2)(C(F)(F)F)C1=O.
What is the InChIKey of N-[(4S)-1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-chlorobenzamide?
The InChIKey is UJPWPDPUXLNLSY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15ClF3N3O3/c1-2-3-7-22-12(24)14(15(17,18)19,21-13(22)25)20-11(23)9-5-4-6-10(16)8-9/h4-6,8H,2-3,7H2,1H3,(H,20,23)(H,21,25)/t14-/m0/s1.
What are the key properties of N-[(4S)-1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-chlorobenzamide?
N-[(4S)-1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-chlorobenzamide has a molecular weight of 377.75 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-chlorobenzamide is sourced from PubChem (CID 7236136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).