(2,4-dichlorophenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

C19H16Cl2N2O4 — CID 7708899

IUPAC(2,4-dichlorophenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
SMILESC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)OCc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C19H16Cl2N2O4/c1-19(13-5-3-2-4-6-13)17(25)23(18(26)22-19)10-16(24)27-11-12-7-8-14(20)9-15(12)21/h2-9H,10-11H2,1H3,(H,22,26)/t19-/m0/s1
InChIKeyUWFMRVHIYFFJFY-IBGZPJMESA-N
MW407.25 g/mol
LogP3.50
Rot. Bonds5

About (2,4-dichlorophenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

(2,4-dichlorophenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (PubChem CID 7708899) has the molecular formula C19H16Cl2N2O4 and a molecular weight of 407.25 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
PubChem CID7708899
Molecular FormulaC19H16Cl2N2O4
Molecular Weight407.25 g/mol
Exact Mass406.05
IUPAC Name(2,4-dichlorophenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
SMILESC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)OCc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C19H16Cl2N2O4/c1-19(13-5-3-2-4-6-13)17(25)23(18(26)22-19)10-16(24)27-11-12-7-8-14(20)9-15(12)21/h2-9H,10-11H2,1H3,(H,22,26)/t19-/m0/s1
InChIKeyUWFMRVHIYFFJFY-IBGZPJMESA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The IUPAC name of (2,4-dichlorophenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (CID 7708899) is (2,4-dichlorophenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The canonical SMILES for (2,4-dichlorophenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)OCc2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of (2,4-dichlorophenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The InChIKey is UWFMRVHIYFFJFY-IBGZPJMESA-N. The full InChI is InChI=1S/C19H16Cl2N2O4/c1-19(13-5-3-2-4-6-13)17(25)23(18(26)22-19)10-16(24)27-11-12-7-8-14(20)9-15(12)21/h2-9H,10-11H2,1H3,(H,22,26)/t19-/m0/s1.
What are the key properties of (2,4-dichlorophenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
(2,4-dichlorophenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate has a molecular weight of 407.25 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is sourced from PubChem (CID 7708899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).