N-(4-chloro-2-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

C17H18ClN3O4 — CID 2560914

IUPACN-(4-chloro-2-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C17H18ClN3O4/c1-10-8-11(18)6-7-13(10)19-14(22)9-20-15(23)16(24)21(17(20)25)12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,19,22)
InChIKeyKCLLJTSJMMCVBU-UHFFFAOYSA-N
MW363.80 g/mol
LogP2.32
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

N-(4-chloro-2-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (PubChem CID 2560914) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
PubChem CID2560914
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C17H18ClN3O4/c1-10-8-11(18)6-7-13(10)19-14(22)9-20-15(23)16(24)21(17(20)25)12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,19,22)
InChIKeyKCLLJTSJMMCVBU-UHFFFAOYSA-N
XLogP2.32
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2660736
N-(5-chloro-2-methylphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800369
N-(2,4-dimethylphenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800530
N-(2,4-dimethylphenyl)-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800531
N-(5-chloro-2-fluorophenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799669
N-(4-chloro-2-methylphenyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide
CID 24534157
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 2708221
N-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800623
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4857034
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-iodophenyl)acetamide
CID 2660754
N-(1,3-benzodioxol-5-yl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2660752
N-(2-benzoylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756202

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (CID 2560914) is N-(4-chloro-2-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is Cc1cc(Cl)ccc1NC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The InChIKey is KCLLJTSJMMCVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c1-10-8-11(18)6-7-13(10)19-14(22)9-20-15(23)16(24)21(17(20)25)12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,19,22).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
N-(4-chloro-2-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide has a molecular weight of 363.80 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 2560914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).