3-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1-naphthalen-1-ylimidazolidine-2,4-dione

C21H14ClF3N2O2 — CID 100918195

IUPAC3-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCC1C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C21H14ClF3N2O2/c1-12-19(28)27(18-11-14(21(23,24)25)9-10-16(18)22)20(29)26(12)17-8-4-6-13-5-2-3-7-15(13)17/h2-12H,1H3
InChIKeyGYYBUAXLFVUIRC-UHFFFAOYSA-N
MW418.80 g/mol
LogP5.87
Rot. Bonds2

About 3-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1-naphthalen-1-ylimidazolidine-2,4-dione

3-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 100918195) has the molecular formula C21H14ClF3N2O2 and a molecular weight of 418.80 g/mol. Its IUPAC name is 3-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID100918195
Molecular FormulaC21H14ClF3N2O2
Molecular Weight418.80 g/mol
Exact Mass418.07
IUPAC Name3-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCC1C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C21H14ClF3N2O2/c1-12-19(28)27(18-11-14(21(23,24)25)9-10-16(18)22)20(29)26(12)17-8-4-6-13-5-2-3-7-15(13)17/h2-12H,1H3
InChIKeyGYYBUAXLFVUIRC-UHFFFAOYSA-N
XLogP5.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.80
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-dimethyl-1-naphthalen-1-ylpiperazine-2,5-dione
CID 64956433
(5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-naphthalen-1-ylimidazolidine-2,4-dione
CID 101259426
(1R,2S,6S,7S)-4-[2-chloro-5-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 11871296
(1R,2R,6S,7S)-4-[2-chloro-5-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 1351973
3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one;hydrochloride
CID 24845750
1-(2,5-dichlorophenyl)-3-naphthalen-1-yl-3H-indol-2-one
CID 153475776
(1S,3S,3aS,6aR)-5-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methylpropyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione
CID 98217885
5-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,3-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 4889604
(3aS,4S,7S,7aS)-2-[2-chloro-5-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-7-methyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 98104150
2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 23316713
(1R,2R,6R,7S)-4-[2-chloro-5-(trifluoromethyl)phenyl]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 7453480
(1S,8S,15R,19S)-4-tert-butyl-17-naphthalen-1-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaene-16,18-dione
CID 163157705

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1-naphthalen-1-ylimidazolidine-2,4-dione (CID 100918195) is 3-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1-naphthalen-1-ylimidazolidine-2,4-dione is CC1C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1cccc2ccccc12.
What is the InChIKey of 3-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is GYYBUAXLFVUIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N2O2/c1-12-19(28)27(18-11-14(21(23,24)25)9-10-16(18)22)20(29)26(12)17-8-4-6-13-5-2-3-7-15(13)17/h2-12H,1H3.
What are the key properties of 3-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1-naphthalen-1-ylimidazolidine-2,4-dione?
3-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 418.80 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 100918195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).