N-[2-(4-chlorophenoxy)ethyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide

C24H22ClN3O4 — CID 55372996

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCOc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C24H22ClN3O4/c1-24(18-7-6-16-4-2-3-5-17(16)14-18)22(30)28(23(31)27-24)15-21(29)26-12-13-32-20-10-8-19(25)9-11-20/h2-11,14H,12-13,15H2,1H3,(H,26,29)(H,27,31)
InChIKeyHSYGNQQESJZZFL-UHFFFAOYSA-N
MW451.91 g/mol
LogP3.46
Rot. Bonds7

About N-[2-(4-chlorophenoxy)ethyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[2-(4-chlorophenoxy)ethyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 55372996) has the molecular formula C24H22ClN3O4 and a molecular weight of 451.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID55372996
Molecular FormulaC24H22ClN3O4
Molecular Weight451.91 g/mol
Exact Mass451.13
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCOc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C24H22ClN3O4/c1-24(18-7-6-16-4-2-3-5-17(16)14-18)22(30)28(23(31)27-24)15-21(29)26-12-13-32-20-10-8-19(25)9-11-20/h2-11,14H,12-13,15H2,1H3,(H,26,29)(H,27,31)
InChIKeyHSYGNQQESJZZFL-UHFFFAOYSA-N
XLogP3.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55416466
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18099224
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 40794608
N-[2-(4-chlorophenyl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3945063
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 51446549
N-[(2-fluorophenyl)methyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 18170358
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 51334227
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40747967
N-[(4-fluorophenyl)methyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16546321
2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 2098354
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92509756

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 55372996) is N-[2-(4-chlorophenoxy)ethyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide is CC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCOc2ccc(Cl)cc2)C1=O.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is HSYGNQQESJZZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4/c1-24(18-7-6-16-4-2-3-5-17(16)14-18)22(30)28(23(31)27-24)15-21(29)26-12-13-32-20-10-8-19(25)9-11-20/h2-11,14H,12-13,15H2,1H3,(H,26,29)(H,27,31).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[2-(4-chlorophenoxy)ethyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 451.91 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 55372996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).