N-(4-cyclohexylphenyl)-5-[(3-fluorophenyl)methyl]-5-methyl-2,4-dioxopyrrolidine-3-carboxamide

C25H27FN2O3 — CID 91167627

IUPACN-(4-cyclohexylphenyl)-5-[(3-fluorophenyl)methyl]-5-methyl-2,4-dioxopyrrolidine-3-carboxamide
SMILESCC1(Cc2cccc(F)c2)NC(=O)C(C(=O)Nc2ccc(C3CCCCC3)cc2)C1=O
InChIInChI=1S/C25H27FN2O3/c1-25(15-16-6-5-9-19(26)14-16)22(29)21(24(31)28-25)23(30)27-20-12-10-18(11-13-20)17-7-3-2-4-8-17/h5-6,9-14,17,21H,2-4,7-8,15H2,1H3,(H,27,30)(H,28,31)
InChIKeyQVQKMHGULAMFPW-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.13
Rot. Bonds5

About N-(4-cyclohexylphenyl)-5-[(3-fluorophenyl)methyl]-5-methyl-2,4-dioxopyrrolidine-3-carboxamide

N-(4-cyclohexylphenyl)-5-[(3-fluorophenyl)methyl]-5-methyl-2,4-dioxopyrrolidine-3-carboxamide (PubChem CID 91167627) has the molecular formula C25H27FN2O3 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-5-[(3-fluorophenyl)methyl]-5-methyl-2,4-dioxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-5-[(3-fluorophenyl)methyl]-5-methyl-2,4-dioxopyrrolidine-3-carboxamide
PubChem CID91167627
Molecular FormulaC25H27FN2O3
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC NameN-(4-cyclohexylphenyl)-5-[(3-fluorophenyl)methyl]-5-methyl-2,4-dioxopyrrolidine-3-carboxamide
SMILESCC1(Cc2cccc(F)c2)NC(=O)C(C(=O)Nc2ccc(C3CCCCC3)cc2)C1=O
InChIInChI=1S/C25H27FN2O3/c1-25(15-16-6-5-9-19(26)14-16)22(29)21(24(31)28-25)23(30)27-20-12-10-18(11-13-20)17-7-3-2-4-8-17/h5-6,9-14,17,21H,2-4,7-8,15H2,1H3,(H,27,30)(H,28,31)
InChIKeyQVQKMHGULAMFPW-UHFFFAOYSA-N
XLogP4.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-benzyl-N-(4-cyclopentylphenyl)-5-methyl-2,4-dioxopyrrolidine-3-carboxamide
CID 90723410
(8S)-8-benzyl-N-(4-cyclohexylphenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolizine-2-carboxamide
CID 91512257
5-benzyl-N-(4-cyclohexylphenyl)-2,4-dioxopiperidine-3-carboxamide
CID 91515792
5-benzyl-5-methyl-N-[3-(3-methylbut-2-enoxy)phenyl]-2,4-dioxopyrrolidine-3-carboxamide
CID 91541995
N-(4-cyclohexylphenyl)-3-fluoroaniline
CID 166048926
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide
CID 45189442
1-cyclopentyl-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951170
4-(cyclopentanecarbonyl)-N-[(3-fluorophenyl)methyl]-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 42882209
1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744329
1-cyclohexyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)urea
CID 4034399
N-[4-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]phenyl]acetamide
CID 99957918
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclohexanecarboxamide
CID 19405937

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-5-[(3-fluorophenyl)methyl]-5-methyl-2,4-dioxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-5-[(3-fluorophenyl)methyl]-5-methyl-2,4-dioxopyrrolidine-3-carboxamide (CID 91167627) is N-(4-cyclohexylphenyl)-5-[(3-fluorophenyl)methyl]-5-methyl-2,4-dioxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-5-[(3-fluorophenyl)methyl]-5-methyl-2,4-dioxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-5-[(3-fluorophenyl)methyl]-5-methyl-2,4-dioxopyrrolidine-3-carboxamide is CC1(Cc2cccc(F)c2)NC(=O)C(C(=O)Nc2ccc(C3CCCCC3)cc2)C1=O.
What is the InChIKey of N-(4-cyclohexylphenyl)-5-[(3-fluorophenyl)methyl]-5-methyl-2,4-dioxopyrrolidine-3-carboxamide?
The InChIKey is QVQKMHGULAMFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3/c1-25(15-16-6-5-9-19(26)14-16)22(29)21(24(31)28-25)23(30)27-20-12-10-18(11-13-20)17-7-3-2-4-8-17/h5-6,9-14,17,21H,2-4,7-8,15H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-(4-cyclohexylphenyl)-5-[(3-fluorophenyl)methyl]-5-methyl-2,4-dioxopyrrolidine-3-carboxamide?
N-(4-cyclohexylphenyl)-5-[(3-fluorophenyl)methyl]-5-methyl-2,4-dioxopyrrolidine-3-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-5-[(3-fluorophenyl)methyl]-5-methyl-2,4-dioxopyrrolidine-3-carboxamide is sourced from PubChem (CID 91167627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).