[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

C16H18ClN3O5 — CID 2467597

IUPAC[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCc1c(Cl)cccc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C16H18ClN3O5/c1-9-10(17)5-4-6-11(9)18-12(21)8-25-13(22)7-20-14(23)16(2,3)19-15(20)24/h4-6H,7-8H2,1-3H3,(H,18,21)(H,19,24)
InChIKeyGHTBUMSJZAEVCI-UHFFFAOYSA-N
MW367.79 g/mol
LogP1.46
Rot. Bonds5

About [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 2467597) has the molecular formula C16H18ClN3O5 and a molecular weight of 367.79 g/mol. Its IUPAC name is [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID2467597
Molecular FormulaC16H18ClN3O5
Molecular Weight367.79 g/mol
Exact Mass367.09
IUPAC Name[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCc1c(Cl)cccc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C16H18ClN3O5/c1-9-10(17)5-4-6-11(9)18-12(21)8-25-13(22)7-20-14(23)16(2,3)19-15(20)24/h4-6H,7-8H2,1-3H3,(H,18,21)(H,19,24)
InChIKeyGHTBUMSJZAEVCI-UHFFFAOYSA-N
XLogP1.46
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate with MolForge

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9503157
[2-(2-Methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2398631
N-(3-chloro-4-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2508282
[2-[[2-(2-Chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 16263590
[1-(3-Chloroanilino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 24687327
[2-[2-Chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 24980833
ethyl 2-{[N-(3-chloro-2-methylphenyl)carbamoyl]amino}acetate
CID 2206953
[2-(2,5-Dimethylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2338322
[2-Oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2568750
[1-(2,3-Dichloroanilino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 24687418
[2-(2-Tert-butylanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 24980227
[1-(2-Butan-2-ylanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 24982257

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 2467597) is [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is Cc1c(Cl)cccc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is GHTBUMSJZAEVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O5/c1-9-10(17)5-4-6-11(9)18-12(21)8-25-13(22)7-20-14(23)16(2,3)19-15(20)24/h4-6H,7-8H2,1-3H3,(H,18,21)(H,19,24).
What are the key properties of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 367.79 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 2467597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).