(4-chloro-2-methylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate

C16H17ClN2O4 — CID 78790836

IUPAC(4-chloro-2-methylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCc1cc(Cl)ccc1OC(=O)CN1C(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C16H17ClN2O4/c1-9-7-11(17)5-6-12(9)23-13(20)8-19-14(21)16(2,10-3-4-10)18-15(19)22/h5-7,10H,3-4,8H2,1-2H3,(H,18,22)
InChIKeyIBFRBNBDTAVHTB-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.27
Rot. Bonds4

About (4-chloro-2-methylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate

(4-chloro-2-methylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 78790836) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID78790836
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC Name(4-chloro-2-methylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCc1cc(Cl)ccc1OC(=O)CN1C(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C16H17ClN2O4/c1-9-7-11(17)5-6-12(9)23-13(20)8-19-14(21)16(2,10-3-4-10)18-15(19)22/h5-7,10H,3-4,8H2,1-2H3,(H,18,22)
InChIKeyIBFRBNBDTAVHTB-UHFFFAOYSA-N
XLogP2.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.27
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-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 55510612
N-(5-chloro-2-methoxyphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16557024
(3-methyl-5-propan-2-ylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 86977225
N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8572834
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 43023961
(1-cyclopropylcyclopropyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 102559296
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 55359695
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 33033846
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47009670
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17401180
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 30932708
N-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 95602649

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of (4-chloro-2-methylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 78790836) is (4-chloro-2-methylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for (4-chloro-2-methylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for (4-chloro-2-methylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate is Cc1cc(Cl)ccc1OC(=O)CN1C(=O)NC(C)(C2CC2)C1=O.
What is the InChIKey of (4-chloro-2-methylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is IBFRBNBDTAVHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c1-9-7-11(17)5-6-12(9)23-13(20)8-19-14(21)16(2,10-3-4-10)18-15(19)22/h5-7,10H,3-4,8H2,1-2H3,(H,18,22).
What are the key properties of (4-chloro-2-methylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
(4-chloro-2-methylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 336.78 g/mol, XLogP of 2.27, 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-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 78790836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).