N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylmethoxyformamide

C18H14Cl2N2O4 — CID 88752845

IUPACN-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylmethoxyformamide
SMILESO=CN(OCc1ccccc1)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C18H14Cl2N2O4/c19-13-6-14(20)8-15(7-13)22-17(24)9-16(18(22)25)21(11-23)26-10-12-4-2-1-3-5-12/h1-8,11,16H,9-10H2
InChIKeyCJXDRDOKUOBTJY-UHFFFAOYSA-N
MW393.23 g/mol
LogP3.22
Rot. Bonds6

About N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylmethoxyformamide

N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylmethoxyformamide (PubChem CID 88752845) has the molecular formula C18H14Cl2N2O4 and a molecular weight of 393.23 g/mol. Its IUPAC name is N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylmethoxyformamide.

Molecular Properties

Compound NameN-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylmethoxyformamide
PubChem CID88752845
Molecular FormulaC18H14Cl2N2O4
Molecular Weight393.23 g/mol
Exact Mass392.03
IUPAC NameN-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylmethoxyformamide
SMILESO=CN(OCc1ccccc1)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C18H14Cl2N2O4/c19-13-6-14(20)8-15(7-13)22-17(24)9-16(18(22)25)21(11-23)26-10-12-4-2-1-3-5-12/h1-8,11,16H,9-10H2
InChIKeyCJXDRDOKUOBTJY-UHFFFAOYSA-N
XLogP3.22
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enoxyformamide
CID 88752656
3-(4-benzylpiperazin-1-yl)-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 3109148
N-cyclopentyl-N-phenylmethoxyformamide
CID 174570352
N-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 1364939
N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 23745183
N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluorobenzamide
CID 23944461
1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione
CID 134262838
4-[[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)amino]-4-oxobut-2-enoic acid
CID 3109141
N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide
CID 23859290
(3R)-3-[bis(prop-2-enyl)amino]-1-phenylpyrrolidine-2,5-dione
CID 894436
3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione
CID 110457872
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)acetamide
CID 3710802

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylmethoxyformamide?
The IUPAC name of N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylmethoxyformamide (CID 88752845) is N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylmethoxyformamide.
What is the SMILES notation for N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylmethoxyformamide?
The canonical SMILES for N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylmethoxyformamide is O=CN(OCc1ccccc1)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O.
What is the InChIKey of N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylmethoxyformamide?
The InChIKey is CJXDRDOKUOBTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O4/c19-13-6-14(20)8-15(7-13)22-17(24)9-16(18(22)25)21(11-23)26-10-12-4-2-1-3-5-12/h1-8,11,16H,9-10H2.
What are the key properties of N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylmethoxyformamide?
N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylmethoxyformamide has a molecular weight of 393.23 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylmethoxyformamide is sourced from PubChem (CID 88752845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).