4-fluoro-N-[[(4R)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C22H17F4N5O3 — CID 172873284

IUPAC4-fluoro-N-[[(4R)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCn1nccc1[C@@]1(CNC(=O)c2ccc(F)cc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O
InChIInChI=1S/C22H17F4N5O3/c1-31-17(8-9-28-31)21(19(33)29-20(34)30-21)11-27-18(32)15-7-6-14(23)10-16(15)12-2-4-13(5-3-12)22(24,25)26/h2-10H,11H2,1H3,(H,27,32)(H2,29,30,33,34)/t21-/m1/s1
InChIKeyQUNSQTFKUUXCCS-OAQYLSRUSA-N
MW475.40 g/mol
LogP2.71
Rot. Bonds5

About 4-fluoro-N-[[(4R)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide

4-fluoro-N-[[(4R)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 172873284) has the molecular formula C22H17F4N5O3 and a molecular weight of 475.40 g/mol. Its IUPAC name is 4-fluoro-N-[[(4R)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(4R)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID172873284
Molecular FormulaC22H17F4N5O3
Molecular Weight475.40 g/mol
Exact Mass475.13
IUPAC Name4-fluoro-N-[[(4R)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCn1nccc1[C@@]1(CNC(=O)c2ccc(F)cc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O
InChIInChI=1S/C22H17F4N5O3/c1-31-17(8-9-28-31)21(19(33)29-20(34)30-21)11-27-18(32)15-7-6-14(23)10-16(15)12-2-4-13(5-3-12)22(24,25)26/h2-10H,11H2,1H3,(H,27,32)(H2,29,30,33,34)/t21-/m1/s1
InChIKeyQUNSQTFKUUXCCS-OAQYLSRUSA-N
XLogP2.71
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.40
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethyl)-N-[[4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 167327970
3,4-difluoro-N-[[(4S)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 170836223
4-fluoro-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 156738809
4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 156738814
N-[[(4R)-4-(1,3-dimethylpyrazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 175802227
N-[[(4R)-4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 175802110
N-[[(4R)-4-(5-cyclopropyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 175801914
4-methyl-N-[(4-oxo-6-propan-2-yl-1,3,5-oxadiazepan-6-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 163416194
N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide
CID 155512044
N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide
CID 132941363
5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide
CID 166180357
2-(4-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648600

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(4R)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(4R)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 172873284) is 4-fluoro-N-[[(4R)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[(4R)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[(4R)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is Cn1nccc1[C@@]1(CNC(=O)c2ccc(F)cc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O.
What is the InChIKey of 4-fluoro-N-[[(4R)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is QUNSQTFKUUXCCS-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H17F4N5O3/c1-31-17(8-9-28-31)21(19(33)29-20(34)30-21)11-27-18(32)15-7-6-14(23)10-16(15)12-2-4-13(5-3-12)22(24,25)26/h2-10H,11H2,1H3,(H,27,32)(H2,29,30,33,34)/t21-/m1/s1.
What are the key properties of 4-fluoro-N-[[(4R)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
4-fluoro-N-[[(4R)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 475.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(4R)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 172873284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).