2-(4-chlorophenoxy)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]acetamide

C13H14ClN3O4 — CID 86287514

IUPAC2-(4-chlorophenoxy)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]acetamide
SMILESC[C@]1(CNC(=O)COc2ccc(Cl)cc2)NC(=O)NC1=O
InChIInChI=1S/C13H14ClN3O4/c1-13(11(19)16-12(20)17-13)7-15-10(18)6-21-9-4-2-8(14)3-5-9/h2-5H,6-7H2,1H3,(H,15,18)(H2,16,17,19,20)/t13-/m1/s1
InChIKeyLNIRXDCIYOBRPL-CYBMUJFWSA-N
MW311.73 g/mol
LogP0.43
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]acetamide

2-(4-chlorophenoxy)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]acetamide (PubChem CID 86287514) has the molecular formula C13H14ClN3O4 and a molecular weight of 311.73 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]acetamide
PubChem CID86287514
Molecular FormulaC13H14ClN3O4
Molecular Weight311.73 g/mol
Exact Mass311.07
IUPAC Name2-(4-chlorophenoxy)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]acetamide
SMILESC[C@]1(CNC(=O)COc2ccc(Cl)cc2)NC(=O)NC1=O
InChIInChI=1S/C13H14ClN3O4/c1-13(11(19)16-12(20)17-13)7-15-10(18)6-21-9-4-2-8(14)3-5-9/h2-5H,6-7H2,1H3,(H,15,18)(H2,16,17,19,20)/t13-/m1/s1
InChIKeyLNIRXDCIYOBRPL-CYBMUJFWSA-N
XLogP0.43
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Chlorophenoxy)-N-(2-(diethylamino)ethyl)acetamide
CID 28554
Plafibride
CID 68822
Acetamide, 2-(4-chlorophenoxy)-N-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride
CID 3052206
1-[2-(2-Chlorophenoxy)acetyl]imidazolidin-2-one
CID 9503657
Propionamide, 2-(p-chlorophenoxy)-N-(2-(dimethylamino)ethyl)-2-methyl-
CID 2184467
Acetamide, 2-(p-chlorophenoxy)-N-(3-(dimethylamino)propyl)-
CID 121036
3-[2-(2,3-Dichlorophenoxy)ethyl]-5,5-dimethyl-2,4-imidazolidinedione
CID 973296
3-[4-(4-Chlorophenoxy)butyl]-5,5-dimethyl-2,4-imidazolidinedione
CID 2199845
5,5-Dimethyl-3-{2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl}-2,4-imidazolidinedione
CID 2215942
1-[2-(2,4-Dichlorophenoxy)acetyl]imidazolidin-2-one
CID 328996
2-(4-chlorophenoxy)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 16316737
Acetamide, 2-(p-chlorophenoxy)-N-(2-(dimethylamino)ethyl)-
CID 121033

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]acetamide (CID 86287514) is 2-(4-chlorophenoxy)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]acetamide is C[C@]1(CNC(=O)COc2ccc(Cl)cc2)NC(=O)NC1=O.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]acetamide?
The InChIKey is LNIRXDCIYOBRPL-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14ClN3O4/c1-13(11(19)16-12(20)17-13)7-15-10(18)6-21-9-4-2-8(14)3-5-9/h2-5H,6-7H2,1H3,(H,15,18)(H2,16,17,19,20)/t13-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]acetamide has a molecular weight of 311.73 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]acetamide is sourced from PubChem (CID 86287514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).