N-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride

C20H22ClFN4O3 — CID 119549660

IUPACN-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCc2ccc(N)cc2)C1=O.Cl
InChIInChI=1S/C20H21FN4O3.ClH/c1-20(14-4-6-15(21)7-5-14)18(27)25(19(28)24-20)12-17(26)23-11-10-13-2-8-16(22)9-3-13;/h2-9H,10-12,22H2,1H3,(H,23,26)(H,24,28);1H
InChIKeyZIQAISXCZXNNMB-UHFFFAOYSA-N
MW420.87 g/mol
LogP1.96
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride (PubChem CID 119549660) has the molecular formula C20H22ClFN4O3 and a molecular weight of 420.87 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
PubChem CID119549660
Molecular FormulaC20H22ClFN4O3
Molecular Weight420.87 g/mol
Exact Mass420.14
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCc2ccc(N)cc2)C1=O.Cl
InChIInChI=1S/C20H21FN4O3.ClH/c1-20(14-4-6-15(21)7-5-14)18(27)25(19(28)24-20)12-17(26)23-11-10-13-2-8-16(22)9-3-13;/h2-9H,10-12,22H2,1H3,(H,23,26)(H,24,28);1H
InChIKeyZIQAISXCZXNNMB-UHFFFAOYSA-N
XLogP1.96
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2113805
N-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119549201
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 46532745
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2117097
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 119548393
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7998160
2-[(4S)-4-(4-aminophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 70246600
2-[(4R)-4-(4-aminophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 70246599
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2085043
N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43044795
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 2703290

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride (CID 119549660) is N-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride is CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCc2ccc(N)cc2)C1=O.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride?
The InChIKey is ZIQAISXCZXNNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3.ClH/c1-20(14-4-6-15(21)7-5-14)18(27)25(19(28)24-20)12-17(26)23-11-10-13-2-8-16(22)9-3-13;/h2-9H,10-12,22H2,1H3,(H,23,26)(H,24,28);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride has a molecular weight of 420.87 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119549660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).