N-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

C20H20ClN3O3 — CID 2703899

IUPACN-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O
InChIInChI=1S/C20H20ClN3O3/c1-13-11-15(21)8-10-16(13)22-18(25)12-24-19(26)17(23-20(24)27)9-7-14-5-3-2-4-6-14/h2-6,8,10-11,17H,7,9,12H2,1H3,(H,22,25)(H,23,27)/t17-/m1/s1
InChIKeyFTHDOXQSKMFEJF-QGZVFWFLSA-N
MW385.85 g/mol
LogP3.14
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

N-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 2703899) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID2703899
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O
InChIInChI=1S/C20H20ClN3O3/c1-13-11-15(21)8-10-16(13)22-18(25)12-24-19(26)17(23-20(24)27)9-7-14-5-3-2-4-6-14/h2-6,8,10-11,17H,7,9,12H2,1H3,(H,22,25)(H,23,27)/t17-/m1/s1
InChIKeyFTHDOXQSKMFEJF-QGZVFWFLSA-N
XLogP3.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2704027
N-(2-chlorophenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703995
N-(4-chloro-2-methylphenyl)-2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571672
N-(2-tert-butylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703909
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 42898323
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2463070
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 7916979
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide
CID 2598023
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 17447614
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 40819989
N-(3,4-diethoxyphenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 4877761
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2598211

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 2703899) is N-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is Cc1cc(Cl)ccc1NC(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is FTHDOXQSKMFEJF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-13-11-15(21)8-10-16(13)22-18(25)12-24-19(26)17(23-20(24)27)9-7-14-5-3-2-4-6-14/h2-6,8,10-11,17H,7,9,12H2,1H3,(H,22,25)(H,23,27)/t17-/m1/s1.
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
N-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 385.85 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 2703899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).