N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide

C23H22F3N3O3 — CID 55811816

IUPACN-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
SMILESCC1(c2cccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCCC3)c2)NC(=O)NC1=O
InChIInChI=1S/C23H22F3N3O3/c1-21(18(30)28-20(32)29-21)14-6-5-9-17(13-14)27-19(31)22(10-2-3-11-22)15-7-4-8-16(12-15)23(24,25)26/h4-9,12-13H,2-3,10-11H2,1H3,(H,27,31)(H2,28,29,30,32)
InChIKeyRTHFCMHECCYEPR-UHFFFAOYSA-N
MW445.44 g/mol
LogP4.21
Rot. Bonds4

About N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide

N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 55811816) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
PubChem CID55811816
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC NameN-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
SMILESCC1(c2cccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCCC3)c2)NC(=O)NC1=O
InChIInChI=1S/C23H22F3N3O3/c1-21(18(30)28-20(32)29-21)14-6-5-9-17(13-14)27-19(31)22(10-2-3-11-22)15-7-4-8-16(12-15)23(24,25)26/h4-9,12-13H,2-3,10-11H2,1H3,(H,27,31)(H2,28,29,30,32)
InChIKeyRTHFCMHECCYEPR-UHFFFAOYSA-N
XLogP4.21
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 166186372
(5S)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 30121383
1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 2526231
N-[3-(1-methyltetrazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 55497594
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 52502832
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 99811306
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 99811307
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 55484939
1-acetyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 39888148
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
N-(3-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60567198
(1R,4S)-3,3-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-1-carboxamide
CID 98137589

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide (CID 55811816) is N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide is CC1(c2cccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCCC3)c2)NC(=O)NC1=O.
What is the InChIKey of N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is RTHFCMHECCYEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c1-21(18(30)28-20(32)29-21)14-6-5-9-17(13-14)27-19(31)22(10-2-3-11-22)15-7-4-8-16(12-15)23(24,25)26/h4-9,12-13H,2-3,10-11H2,1H3,(H,27,31)(H2,28,29,30,32).
What are the key properties of N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 445.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55811816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).