N-(3-chloro-4-cyanophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

C14H13ClN4O3 — CID 7181965

IUPACN-(3-chloro-4-cyanophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(C)NC(=O)N(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O
InChIInChI=1S/C14H13ClN4O3/c1-14(2)12(21)19(13(22)18-14)7-11(20)17-9-4-3-8(6-16)10(15)5-9/h3-5H,7H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyIHHYKYOOMIYLIQ-UHFFFAOYSA-N
MW320.74 g/mol
LogP1.48
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(3-chloro-4-cyanophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 7181965) has the molecular formula C14H13ClN4O3 and a molecular weight of 320.74 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID7181965
Molecular FormulaC14H13ClN4O3
Molecular Weight320.74 g/mol
Exact Mass320.07
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(C)NC(=O)N(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O
InChIInChI=1S/C14H13ClN4O3/c1-14(2)12(21)19(13(22)18-14)7-11(20)17-9-4-3-8(6-16)10(15)5-9/h3-5H,7H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyIHHYKYOOMIYLIQ-UHFFFAOYSA-N
XLogP1.48
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7995035
N-(3-acetylphenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2547789
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7993697
N-(3-chloro-4-cyanophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide
CID 65460986
N-(2,4-dichlorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7266430
[(2S)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8957902
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 2117238
N-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4537106
N-(3-chloro-4-cyanophenyl)-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
CID 46696995
N-(5-chloro-2-fluorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7266305
N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2119163
N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 3972786

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 7181965) is N-(3-chloro-4-cyanophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide is CC1(C)NC(=O)N(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is IHHYKYOOMIYLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O3/c1-14(2)12(21)19(13(22)18-14)7-11(20)17-9-4-3-8(6-16)10(15)5-9/h3-5H,7H2,1-2H3,(H,17,20)(H,18,22).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 320.74 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 7181965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).