N-(2-chloro-4-nitrophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide

C19H14ClF3N4O5 — CID 46484725

IUPACN-(2-chloro-4-nitrophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
SMILESCC1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1=O
InChIInChI=1S/C19H14ClF3N4O5/c1-18(10-3-2-4-11(7-10)19(21,22)23)16(29)26(17(30)25-18)9-15(28)24-14-6-5-12(27(31)32)8-13(14)20/h2-8H,9H2,1H3,(H,24,28)(H,25,30)
InChIKeyUEEDHGYYQZHOGS-UHFFFAOYSA-N
MW470.79 g/mol
LogP3.67
Rot. Bonds5

About N-(2-chloro-4-nitrophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide

N-(2-chloro-4-nitrophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide (PubChem CID 46484725) has the molecular formula C19H14ClF3N4O5 and a molecular weight of 470.79 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
PubChem CID46484725
Molecular FormulaC19H14ClF3N4O5
Molecular Weight470.79 g/mol
Exact Mass470.06
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
SMILESCC1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1=O
InChIInChI=1S/C19H14ClF3N4O5/c1-18(10-3-2-4-11(7-10)19(21,22)23)16(29)26(17(30)25-18)9-15(28)24-14-6-5-12(27(31)32)8-13(14)20/h2-8H,9H2,1H3,(H,24,28)(H,25,30)
InChIKeyUEEDHGYYQZHOGS-UHFFFAOYSA-N
XLogP3.67
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.79
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dichlorophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 46484652
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-nitrophenyl)acetamide
CID 40779068
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 46484653
N-(3,4-dimethylphenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 46484791
N-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 51951377
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide
CID 2702285
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 16569736
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 18284005
2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-nitrophenyl)acetamide
CID 40857084
2-[[2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 43075675
N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075672
N-[2,6-di(propan-2-yl)phenyl]-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075611

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide (CID 46484725) is N-(2-chloro-4-nitrophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide is CC1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1=O.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The InChIKey is UEEDHGYYQZHOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O5/c1-18(10-3-2-4-11(7-10)19(21,22)23)16(29)26(17(30)25-18)9-15(28)24-14-6-5-12(27(31)32)8-13(14)20/h2-8H,9H2,1H3,(H,24,28)(H,25,30).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
N-(2-chloro-4-nitrophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide has a molecular weight of 470.79 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide is sourced from PubChem (CID 46484725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).