N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

C19H18ClN3O3 — CID 2704027

IUPACN-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O3/c20-14-7-9-15(10-8-14)21-17(24)12-23-18(25)16(22-19(23)26)11-6-13-4-2-1-3-5-13/h1-5,7-10,16H,6,11-12H2,(H,21,24)(H,22,26)/t16-/m0/s1
InChIKeySINNFCYNFYJPDX-INIZCTEOSA-N
MW371.82 g/mol
LogP2.83
Rot. Bonds6

About N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 2704027) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID2704027
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O3/c20-14-7-9-15(10-8-14)21-17(24)12-23-18(25)16(22-19(23)26)11-6-13-4-2-1-3-5-13/h1-5,7-10,16H,6,11-12H2,(H,21,24)(H,22,26)/t16-/m0/s1
InChIKeySINNFCYNFYJPDX-INIZCTEOSA-N
XLogP2.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.83
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

2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 7916979
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-(4-methoxyphenyl)acetamide
CID 2598211
N-(2-chlorophenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703995
N-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703899
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7916993
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7916991
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 42898323
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2597901
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 41273751
N-(3,4-diethoxyphenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 4877761
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2436780

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 2704027) is N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is SINNFCYNFYJPDX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-14-7-9-15(10-8-14)21-17(24)12-23-18(25)16(22-19(23)26)11-6-13-4-2-1-3-5-13/h1-5,7-10,16H,6,11-12H2,(H,21,24)(H,22,26)/t16-/m0/s1.
What are the key properties of N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 371.82 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 2704027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).