N-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide

C29H31FN2O3 — CID 23774596

IUPACN-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
SMILESCc1ccc(N2C(=O)CC(N(Cc3ccc(F)cc3)C(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1
InChIInChI=1S/C29H31FN2O3/c1-18-2-8-24(9-3-18)32-26(33)13-25(27(32)34)31(17-19-4-6-23(30)7-5-19)28(35)29-14-20-10-21(15-29)12-22(11-20)16-29/h2-9,20-22,25H,10-17H2,1H3
InChIKeyJNODEOLYIBDWMN-UHFFFAOYSA-N
MW474.58 g/mol
LogP5.01
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide

N-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide (PubChem CID 23774596) has the molecular formula C29H31FN2O3 and a molecular weight of 474.58 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
PubChem CID23774596
Molecular FormulaC29H31FN2O3
Molecular Weight474.58 g/mol
Exact Mass474.23
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
SMILESCc1ccc(N2C(=O)CC(N(Cc3ccc(F)cc3)C(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1
InChIInChI=1S/C29H31FN2O3/c1-18-2-8-24(9-3-18)32-26(33)13-25(27(32)34)31(17-19-4-6-23(30)7-5-19)28(35)29-14-20-10-21(15-29)12-22(11-20)16-29/h2-9,20-22,25H,10-17H2,1H3
InChIKeyJNODEOLYIBDWMN-UHFFFAOYSA-N
XLogP5.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23774594
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 23860826
N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]butanamide
CID 23802165
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 23943166
N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23832441
ethyl 4-[3-[adamantane-1-carbonyl(thiophen-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23832454
N-[(4-fluorophenyl)methyl]-N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 23998767
N-benzyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23915049
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 23916633
N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide
CID 23916670
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)adamantane-1-carboxamide
CID 23888664
4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 23859152

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide (CID 23774596) is N-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide is Cc1ccc(N2C(=O)CC(N(Cc3ccc(F)cc3)C(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide?
The InChIKey is JNODEOLYIBDWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN2O3/c1-18-2-8-24(9-3-18)32-26(33)13-25(27(32)34)31(17-19-4-6-23(30)7-5-19)28(35)29-14-20-10-21(15-29)12-22(11-20)16-29/h2-9,20-22,25H,10-17H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide?
N-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide has a molecular weight of 474.58 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide is sourced from PubChem (CID 23774596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).