N-[(4-bromophenyl)methyl]-2-chloro-N-(2,5-dioxopyrrolidin-1-yl)benzamide

C18H14BrClN2O3 — CID 2243584

IUPACN-[(4-bromophenyl)methyl]-2-chloro-N-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(c1ccccc1Cl)N(Cc1ccc(Br)cc1)N1C(=O)CCC1=O
InChIInChI=1S/C18H14BrClN2O3/c19-13-7-5-12(6-8-13)11-21(22-16(23)9-10-17(22)24)18(25)14-3-1-2-4-15(14)20/h1-8H,9-11H2
InChIKeyDZKWRYRNICKKAN-UHFFFAOYSA-N
MW421.68 g/mol
LogP3.81
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-2-chloro-N-(2,5-dioxopyrrolidin-1-yl)benzamide

N-[(4-bromophenyl)methyl]-2-chloro-N-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 2243584) has the molecular formula C18H14BrClN2O3 and a molecular weight of 421.68 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-chloro-N-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-chloro-N-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID2243584
Molecular FormulaC18H14BrClN2O3
Molecular Weight421.68 g/mol
Exact Mass419.99
IUPAC NameN-[(4-bromophenyl)methyl]-2-chloro-N-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(c1ccccc1Cl)N(Cc1ccc(Br)cc1)N1C(=O)CCC1=O
InChIInChI=1S/C18H14BrClN2O3/c19-13-7-5-12(6-8-13)11-21(22-16(23)9-10-17(22)24)18(25)14-3-1-2-4-15(14)20/h1-8H,9-11H2
InChIKeyDZKWRYRNICKKAN-UHFFFAOYSA-N
XLogP3.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.68
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-chloro-N-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-chloro-N-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 2243584) is N-[(4-bromophenyl)methyl]-2-chloro-N-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-chloro-N-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-chloro-N-(2,5-dioxopyrrolidin-1-yl)benzamide is O=C(c1ccccc1Cl)N(Cc1ccc(Br)cc1)N1C(=O)CCC1=O.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-chloro-N-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is DZKWRYRNICKKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN2O3/c19-13-7-5-12(6-8-13)11-21(22-16(23)9-10-17(22)24)18(25)14-3-1-2-4-15(14)20/h1-8H,9-11H2.
What are the key properties of N-[(4-bromophenyl)methyl]-2-chloro-N-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-[(4-bromophenyl)methyl]-2-chloro-N-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 421.68 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-chloro-N-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 2243584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).