N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide

C20H18F3N3O4 — CID 2968794

IUPACN-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1(C(F)(F)F)NC(=O)N(c2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C20H18F3N3O4/c1-11-8-9-13(10-12(11)2)26-17(28)19(20(21,22)23,25-18(26)29)24-16(27)14-6-4-5-7-15(14)30-3/h4-10H,1-3H3,(H,24,27)(H,25,29)
InChIKeySDNWNBWHOSOZSW-UHFFFAOYSA-N
MW421.38 g/mol
LogP3.06
Rot. Bonds4

About N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide

N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide (PubChem CID 2968794) has the molecular formula C20H18F3N3O4 and a molecular weight of 421.38 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
PubChem CID2968794
Molecular FormulaC20H18F3N3O4
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC NameN-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1(C(F)(F)F)NC(=O)N(c2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C20H18F3N3O4/c1-11-8-9-13(10-12(11)2)26-17(28)19(20(21,22)23,25-18(26)29)24-16(27)14-6-4-5-7-15(14)30-3/h4-10H,1-3H3,(H,24,27)(H,25,29)
InChIKeySDNWNBWHOSOZSW-UHFFFAOYSA-N
XLogP3.06
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4S)-1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 92651760
N-[(4R)-1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
CID 40946848
N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 41062779
N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
CID 42578542
N-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
CID 40936967
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide
CID 3664545
2-methoxy-N-[1-oxo-2-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-2-yl]benzamide
CID 135651286
N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide
CID 41063050
4-methoxy-N-[1-(2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 17388411
4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 46500658
N-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide
CID 42581639
4-chloro-N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2041429

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide (CID 2968794) is N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC1(C(F)(F)F)NC(=O)N(c2ccc(C)c(C)c2)C1=O.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide?
The InChIKey is SDNWNBWHOSOZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4/c1-11-8-9-13(10-12(11)2)26-17(28)19(20(21,22)23,25-18(26)29)24-16(27)14-6-4-5-7-15(14)30-3/h4-10H,1-3H3,(H,24,27)(H,25,29).
What are the key properties of N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide?
N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide has a molecular weight of 421.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 2968794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).