(5S)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione

C18H13F2N3O5 — CID 7180183

IUPAC(5S)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C18H13F2N3O5/c1-18(11-3-5-12(6-4-11)23(27)28)16(25)22(17(26)21-18)9-15(24)10-2-7-13(19)14(20)8-10/h2-8H,9H2,1H3,(H,21,26)/t18-/m0/s1
InChIKeyYCKYKZQVRUFODD-SFHVURJKSA-N
MW389.31 g/mol
LogP2.52
Rot. Bonds5

About (5S)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione

(5S)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione (PubChem CID 7180183) has the molecular formula C18H13F2N3O5 and a molecular weight of 389.31 g/mol. Its IUPAC name is (5S)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
PubChem CID7180183
Molecular FormulaC18H13F2N3O5
Molecular Weight389.31 g/mol
Exact Mass389.08
IUPAC Name(5S)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C18H13F2N3O5/c1-18(11-3-5-12(6-4-11)23(27)28)16(25)22(17(26)21-18)9-15(24)10-2-7-13(19)14(20)8-10/h2-8H,9H2,1H3,(H,21,26)/t18-/m0/s1
InChIKeyYCKYKZQVRUFODD-SFHVURJKSA-N
XLogP2.52
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 40895044
5-(4-chlorophenyl)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42897860
5-(3,4-difluorophenyl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 24523461
(5R)-5-(3,4-difluorophenyl)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 27145082
N-(2,6-difluorophenyl)-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180337
3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 18074722
(5R)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7546173
5,5-dimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60623134
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 18099222
(5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 52529593
(5S)-3-[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 41170247
(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180129

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione (CID 7180183) is (5S)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione is C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)c2ccc(F)c(F)c2)C1=O.
What is the InChIKey of (5S)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
The InChIKey is YCKYKZQVRUFODD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H13F2N3O5/c1-18(11-3-5-12(6-4-11)23(27)28)16(25)22(17(26)21-18)9-15(24)10-2-7-13(19)14(20)8-10/h2-8H,9H2,1H3,(H,21,26)/t18-/m0/s1.
What are the key properties of (5S)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
(5S)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione has a molecular weight of 389.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7180183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).