4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

C17H11ClF3N3O3 — CID 42559353

IUPAC4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESO=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccccc2)C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClF3N3O3/c18-11-8-6-10(7-9-11)13(25)22-16(17(19,20)21)14(26)24(15(27)23-16)12-4-2-1-3-5-12/h1-9H,(H,22,25)(H,23,27)/t16-/m1/s1
InChIKeyCCSIYHNKEFKGAN-MRXNPFEDSA-N
MW397.74 g/mol
LogP3.08
Rot. Bonds3

About 4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (PubChem CID 42559353) has the molecular formula C17H11ClF3N3O3 and a molecular weight of 397.74 g/mol. Its IUPAC name is 4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
PubChem CID42559353
Molecular FormulaC17H11ClF3N3O3
Molecular Weight397.74 g/mol
Exact Mass397.04
IUPAC Name4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESO=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccccc2)C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClF3N3O3/c18-11-8-6-10(7-9-11)13(25)22-16(17(19,20)21)14(26)24(15(27)23-16)12-4-2-1-3-5-12/h1-9H,(H,22,25)(H,23,27)/t16-/m1/s1
InChIKeyCCSIYHNKEFKGAN-MRXNPFEDSA-N
XLogP3.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.74
LogP ≤ 53.08
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-chloro-N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2041429
N-[(4S)-1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 28947474
4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 46500658
N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2043412
4-chloro-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3748507
N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 41062779
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-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 2021966
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 4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The IUPAC name of 4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (CID 42559353) is 4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccccc2)C1=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The InChIKey is CCSIYHNKEFKGAN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H11ClF3N3O3/c18-11-8-6-10(7-9-11)13(25)22-16(17(19,20)21)14(26)24(15(27)23-16)12-4-2-1-3-5-12/h1-9H,(H,22,25)(H,23,27)/t16-/m1/s1.
What are the key properties of 4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide has a molecular weight of 397.74 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is sourced from PubChem (CID 42559353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).