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

C17H10ClF4N3O3 — CID 28947474

IUPACN-[(4S)-1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
SMILESO=C(N[C@]1(C(F)(F)F)NC(=O)N(c2cccc(Cl)c2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C17H10ClF4N3O3/c18-10-2-1-3-12(8-10)25-14(27)16(17(20,21)22,24-15(25)28)23-13(26)9-4-6-11(19)7-5-9/h1-8H,(H,23,26)(H,24,28)/t16-/m0/s1
InChIKeyALPPTNSSWDQKJH-INIZCTEOSA-N
MW415.73 g/mol
LogP3.22
Rot. Bonds3

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

N-[(4S)-1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide (PubChem CID 28947474) has the molecular formula C17H10ClF4N3O3 and a molecular weight of 415.73 g/mol. Its IUPAC name is N-[(4S)-1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(4S)-1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
PubChem CID28947474
Molecular FormulaC17H10ClF4N3O3
Molecular Weight415.73 g/mol
Exact Mass415.03
IUPAC NameN-[(4S)-1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
SMILESO=C(N[C@]1(C(F)(F)F)NC(=O)N(c2cccc(Cl)c2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C17H10ClF4N3O3/c18-10-2-1-3-12(8-10)25-14(27)16(17(20,21)22,24-15(25)28)23-13(26)9-4-6-11(19)7-5-9/h1-8H,(H,23,26)(H,24,28)/t16-/m0/s1
InChIKeyALPPTNSSWDQKJH-INIZCTEOSA-N
XLogP3.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.73
LogP ≤ 53.22
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

4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 46500658
4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 42559353
4-chloro-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3748507
4-chloro-N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2041429
N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
CID 2001470
N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 4275035
N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide
CID 41063050
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide
CID 3664545
N-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 2021966
N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2043412
N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 41062779
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 3836618

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[(4S)-1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide (CID 28947474) is N-[(4S)-1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[(4S)-1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[(4S)-1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide is O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2cccc(Cl)c2)C1=O)c1ccc(F)cc1.
What is the InChIKey of N-[(4S)-1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide?
The InChIKey is ALPPTNSSWDQKJH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H10ClF4N3O3/c18-10-2-1-3-12(8-10)25-14(27)16(17(20,21)22,24-15(25)28)23-13(26)9-4-6-11(19)7-5-9/h1-8H,(H,23,26)(H,24,28)/t16-/m0/s1.
What are the key properties of N-[(4S)-1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide?
N-[(4S)-1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide has a molecular weight of 415.73 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 28947474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).