N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetohydrazide

C22H23ClN4O5 — CID 27600419

IUPACN'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetohydrazide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)COc2ccc(Cl)cc2C)C1=O
InChIInChI=1S/C22H23ClN4O5/c1-3-22(15-7-5-4-6-8-15)20(30)27(21(31)24-22)12-18(28)25-26-19(29)13-32-17-10-9-16(23)11-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,24,31)(H,25,28)(H,26,29)/t22-/m0/s1
InChIKeyRQCUTPVXOHDPGG-QFIPXVFZSA-N
MW458.90 g/mol
LogP2.03
Rot. Bonds7

About N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetohydrazide

N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetohydrazide (PubChem CID 27600419) has the molecular formula C22H23ClN4O5 and a molecular weight of 458.90 g/mol. Its IUPAC name is N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetohydrazide
PubChem CID27600419
Molecular FormulaC22H23ClN4O5
Molecular Weight458.90 g/mol
Exact Mass458.14
IUPAC NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetohydrazide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)COc2ccc(Cl)cc2C)C1=O
InChIInChI=1S/C22H23ClN4O5/c1-3-22(15-7-5-4-6-8-15)20(30)27(21(31)24-22)12-18(28)25-26-19(29)13-32-17-10-9-16(23)11-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,24,31)(H,25,28)(H,26,29)/t22-/m0/s1
InChIKeyRQCUTPVXOHDPGG-QFIPXVFZSA-N
XLogP2.03
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.90
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
N-(2-benzoyl-4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41209043
N-[(3-chlorophenyl)methyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242669
N-(3,4-dimethylphenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179665
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 7242671
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25352322
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 2584779
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2582592
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 2531072
4-ethyl-N'-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]benzohydrazide
CID 24978772
N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 26292277

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetohydrazide?
The IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetohydrazide (CID 27600419) is N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetohydrazide.
What is the SMILES notation for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetohydrazide?
The canonical SMILES for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetohydrazide is CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)COc2ccc(Cl)cc2C)C1=O.
What is the InChIKey of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetohydrazide?
The InChIKey is RQCUTPVXOHDPGG-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23ClN4O5/c1-3-22(15-7-5-4-6-8-15)20(30)27(21(31)24-22)12-18(28)25-26-19(29)13-32-17-10-9-16(23)11-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,24,31)(H,25,28)(H,26,29)/t22-/m0/s1.
What are the key properties of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetohydrazide?
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetohydrazide has a molecular weight of 458.90 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetohydrazide is sourced from PubChem (CID 27600419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).