(4-chloro-2-methylphenyl) 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

C19H16ClFN2O4 — CID 55510612

IUPAC(4-chloro-2-methylphenyl) 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCc1cc(Cl)ccc1OC(=O)CN1C(=O)NC(C)(c2ccc(F)cc2)C1=O
InChIInChI=1S/C19H16ClFN2O4/c1-11-9-13(20)5-8-15(11)27-16(24)10-23-17(25)19(2,22-18(23)26)12-3-6-14(21)7-4-12/h3-9H,10H2,1-2H3,(H,22,26)
InChIKeyBVNPUWWLMQIXCK-UHFFFAOYSA-N
MW390.80 g/mol
LogP3.16
Rot. Bonds4

About (4-chloro-2-methylphenyl) 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

(4-chloro-2-methylphenyl) 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 55510612) has the molecular formula C19H16ClFN2O4 and a molecular weight of 390.80 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl) 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl) 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID55510612
Molecular FormulaC19H16ClFN2O4
Molecular Weight390.80 g/mol
Exact Mass390.08
IUPAC Name(4-chloro-2-methylphenyl) 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCc1cc(Cl)ccc1OC(=O)CN1C(=O)NC(C)(c2ccc(F)cc2)C1=O
InChIInChI=1S/C19H16ClFN2O4/c1-11-9-13(20)5-8-15(11)27-16(24)10-23-17(25)19(2,22-18(23)26)12-3-6-14(21)7-4-12/h3-9H,10H2,1-2H3,(H,22,26)
InChIKeyBVNPUWWLMQIXCK-UHFFFAOYSA-N
XLogP3.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.80
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-2-methylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 78790836
N-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42918890
(4-chloro-3,5-dimethylphenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 55779436
N-(3-fluoro-4-methylphenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250072
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 7240396
(2,4,6-trichlorophenyl) 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55335215
methyl 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 78643753
(2-chloro-4-cyano-6-ethoxyphenyl) 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 55511616
(4-fluorophenyl)methyl 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 84603716
2-[4-(3-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 43134914
2-[(4S)-4-(3-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 93239430
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7710699

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl) 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of (4-chloro-2-methylphenyl) 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (CID 55510612) is (4-chloro-2-methylphenyl) 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for (4-chloro-2-methylphenyl) 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for (4-chloro-2-methylphenyl) 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is Cc1cc(Cl)ccc1OC(=O)CN1C(=O)NC(C)(c2ccc(F)cc2)C1=O.
What is the InChIKey of (4-chloro-2-methylphenyl) 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is BVNPUWWLMQIXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O4/c1-11-9-13(20)5-8-15(11)27-16(24)10-23-17(25)19(2,22-18(23)26)12-3-6-14(21)7-4-12/h3-9H,10H2,1-2H3,(H,22,26).
What are the key properties of (4-chloro-2-methylphenyl) 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
(4-chloro-2-methylphenyl) 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 390.80 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl) 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 55510612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).