N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(1-phenylethyl)benzamide

C26H23IN2O4 — CID 23888447

IUPACN-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(1-phenylethyl)benzamide
SMILESCOc1cccc(C(=O)N(C2CC(=O)N(c3ccc(I)cc3)C2=O)C(C)c2ccccc2)c1
InChIInChI=1S/C26H23IN2O4/c1-17(18-7-4-3-5-8-18)28(25(31)19-9-6-10-22(15-19)33-2)23-16-24(30)29(26(23)32)21-13-11-20(27)12-14-21/h3-15,17,23H,16H2,1-2H3
InChIKeyUDJHYIOIRYEVCO-UHFFFAOYSA-N
MW554.38 g/mol
LogP4.84
Rot. Bonds6

About N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(1-phenylethyl)benzamide

N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(1-phenylethyl)benzamide (PubChem CID 23888447) has the molecular formula C26H23IN2O4 and a molecular weight of 554.38 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(1-phenylethyl)benzamide
PubChem CID23888447
Molecular FormulaC26H23IN2O4
Molecular Weight554.38 g/mol
Exact Mass554.07
IUPAC NameN-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(1-phenylethyl)benzamide
SMILESCOc1cccc(C(=O)N(C2CC(=O)N(c3ccc(I)cc3)C2=O)C(C)c2ccccc2)c1
InChIInChI=1S/C26H23IN2O4/c1-17(18-7-4-3-5-8-18)28(25(31)19-9-6-10-22(15-19)33-2)23-16-24(30)29(26(23)32)21-13-11-20(27)12-14-21/h3-15,17,23H,16H2,1-2H3
InChIKeyUDJHYIOIRYEVCO-UHFFFAOYSA-N
XLogP4.84
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.38
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxybenzamide
CID 23745207
methyl 4-[3-[butan-2-yl-(3-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23860694
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide
CID 23860685
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-(1-phenylethyl)benzamide
CID 23774573
4-chloro-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitro-N-(1-phenylethyl)benzamide
CID 23803404
N-cyclopentyl-3-methoxy-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23745191
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenoxy-N-(1-phenylethyl)acetamide
CID 23743789
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3-methoxybenzamide
CID 23888438
N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 23972425
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide
CID 23832245
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide
CID 23743830
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide
CID 23886744

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(1-phenylethyl)benzamide?
The IUPAC name of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(1-phenylethyl)benzamide (CID 23888447) is N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(1-phenylethyl)benzamide.
What is the SMILES notation for N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(1-phenylethyl)benzamide?
The canonical SMILES for N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(1-phenylethyl)benzamide is COc1cccc(C(=O)N(C2CC(=O)N(c3ccc(I)cc3)C2=O)C(C)c2ccccc2)c1.
What is the InChIKey of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(1-phenylethyl)benzamide?
The InChIKey is UDJHYIOIRYEVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23IN2O4/c1-17(18-7-4-3-5-8-18)28(25(31)19-9-6-10-22(15-19)33-2)23-16-24(30)29(26(23)32)21-13-11-20(27)12-14-21/h3-15,17,23H,16H2,1-2H3.
What are the key properties of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(1-phenylethyl)benzamide?
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(1-phenylethyl)benzamide has a molecular weight of 554.38 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 23888447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).