2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C19H18F3N3O4 — CID 2477643

IUPAC2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)NCC(F)(F)F)C3=O)ccc2c1
InChIInChI=1S/C19H18F3N3O4/c1-18(13-5-3-12-8-14(29-2)6-4-11(12)7-13)16(27)25(17(28)24-18)9-15(26)23-10-19(20,21)22/h3-8H,9-10H2,1-2H3,(H,23,26)(H,24,28)/t18-/m1/s1
InChIKeyBVLAYBQQXKDTLI-GOSISDBHSA-N
MW409.36 g/mol
LogP2.29
Rot. Bonds5

About 2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2477643) has the molecular formula C19H18F3N3O4 and a molecular weight of 409.36 g/mol. Its IUPAC name is 2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2477643
Molecular FormulaC19H18F3N3O4
Molecular Weight409.36 g/mol
Exact Mass409.12
IUPAC Name2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)NCC(F)(F)F)C3=O)ccc2c1
InChIInChI=1S/C19H18F3N3O4/c1-18(13-5-3-12-8-14(29-2)6-4-11(12)7-13)16(27)25(17(28)24-18)9-15(26)23-10-19(20,21)22/h3-8H,9-10H2,1-2H3,(H,23,26)(H,24,28)/t18-/m1/s1
InChIKeyBVLAYBQQXKDTLI-GOSISDBHSA-N
XLogP2.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 52.29
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-ethyl-2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide
CID 8570806
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 92786478
2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylacetamide
CID 8570824
2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 2098354
N-[2-(4-chlorophenyl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3945063
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119504052
N-[2-(4-methoxyphenoxy)ethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55416466
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 95769523
N-[2-(ethylamino)ethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 119509184
3-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 45354786
N-(2,6-dichloro-3-methylphenyl)-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4880285
(5R)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione
CID 41176825

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 2477643) is 2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)NCC(F)(F)F)C3=O)ccc2c1.
What is the InChIKey of 2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BVLAYBQQXKDTLI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18F3N3O4/c1-18(13-5-3-12-8-14(29-2)6-4-11(12)7-13)16(27)25(17(28)24-18)9-15(26)23-10-19(20,21)22/h3-8H,9-10H2,1-2H3,(H,23,26)(H,24,28)/t18-/m1/s1.
What are the key properties of 2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 409.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2477643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).