4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide

C23H26ClF2N5O3 — CID 122679290

IUPAC4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
SMILESCCNC(=O)c1[nH]cnc1C(=O)NC1CCC2(CCCN(c3cc(F)c(F)cc3Cl)C2=O)CC1
InChIInChI=1S/C23H26ClF2N5O3/c1-2-27-20(32)18-19(29-12-28-18)21(33)30-13-4-7-23(8-5-13)6-3-9-31(22(23)34)17-11-16(26)15(25)10-14(17)24/h10-13H,2-9H2,1H3,(H,27,32)(H,28,29)(H,30,33)
InChIKeyFQXQFKSDULPLLP-UHFFFAOYSA-N
MW493.94 g/mol
LogP3.58
Rot. Bonds5

About 4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide

4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 122679290) has the molecular formula C23H26ClF2N5O3 and a molecular weight of 493.94 g/mol. Its IUPAC name is 4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
PubChem CID122679290
Molecular FormulaC23H26ClF2N5O3
Molecular Weight493.94 g/mol
Exact Mass493.17
IUPAC Name4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
SMILESCCNC(=O)c1[nH]cnc1C(=O)NC1CCC2(CCCN(c3cc(F)c(F)cc3Cl)C2=O)CC1
InChIInChI=1S/C23H26ClF2N5O3/c1-2-27-20(32)18-19(29-12-28-18)21(33)30-13-4-7-23(8-5-13)6-3-9-31(22(23)34)17-11-16(26)15(25)10-14(17)24/h10-13H,2-9H2,1H3,(H,27,32)(H,28,29)(H,30,33)
InChIKeyFQXQFKSDULPLLP-UHFFFAOYSA-N
XLogP3.58
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.94
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide with MolForge

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Related Compounds

5-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679396
5-N-[2-(2-chloro-4-fluoro-5-methylphenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide
CID 122679391
5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679177
1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide;N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(3-fluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide
CID 122672795
4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide
CID 134538538
5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679344
4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 122679352
4-N-[(5R)-1-(2-chloro-4-fluorophenyl)-2-oxoazonan-5-yl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 134556634
N-[2-(2-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-imidazole-5-carboxamide
CID 148969048
1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide
CID 122672535
N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122672295
5-N-(cyclohexylmethyl)-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 46264337

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide (CID 122679290) is 4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide is CCNC(=O)c1[nH]cnc1C(=O)NC1CCC2(CCCN(c3cc(F)c(F)cc3Cl)C2=O)CC1.
What is the InChIKey of 4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is FQXQFKSDULPLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF2N5O3/c1-2-27-20(32)18-19(29-12-28-18)21(33)30-13-4-7-23(8-5-13)6-3-9-31(22(23)34)17-11-16(26)15(25)10-14(17)24/h10-13H,2-9H2,1H3,(H,27,32)(H,28,29)(H,30,33).
What are the key properties of 4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide?
4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 493.94 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 122679290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).