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

C22H18ClN3O3 — CID 56530350

IUPACN-(4-chloro-2-pyrrol-1-ylphenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1-n1cccc1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H18ClN3O3/c23-17-7-8-18(19(13-17)25-11-1-2-12-25)24-22(29)16-5-3-15(4-6-16)14-26-20(27)9-10-21(26)28/h1-8,11-13H,9-10,14H2,(H,24,29)
InChIKeyRUKUVCGXYDBMMJ-UHFFFAOYSA-N
MW407.86 g/mol
LogP4.03
Rot. Bonds5

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

N-(4-chloro-2-pyrrol-1-ylphenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 56530350) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is N-(4-chloro-2-pyrrol-1-ylphenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyrrol-1-ylphenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
PubChem CID56530350
Molecular FormulaC22H18ClN3O3
Molecular Weight407.86 g/mol
Exact Mass407.10
IUPAC NameN-(4-chloro-2-pyrrol-1-ylphenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1-n1cccc1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H18ClN3O3/c23-17-7-8-18(19(13-17)25-11-1-2-12-25)24-22(29)16-5-3-15(4-6-16)14-26-20(27)9-10-21(26)28/h1-8,11-13H,9-10,14H2,(H,24,29)
InChIKeyRUKUVCGXYDBMMJ-UHFFFAOYSA-N
XLogP4.03
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 47086337
N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17498612
N-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 39166499
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 56530676
4-chloro-3-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 38956339
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-phenylacetamide
CID 56582364
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-cyanobenzamide
CID 56530671
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-fluoropyridine-4-carboxamide
CID 56535981
4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide
CID 56530341
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 48666981
N-(2,5-dichlorophenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 28633234
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide
CID 24641200

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (CID 56530350) is N-(4-chloro-2-pyrrol-1-ylphenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(4-chloro-2-pyrrol-1-ylphenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(4-chloro-2-pyrrol-1-ylphenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is O=C(Nc1ccc(Cl)cc1-n1cccc1)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of N-(4-chloro-2-pyrrol-1-ylphenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is RUKUVCGXYDBMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3/c23-17-7-8-18(19(13-17)25-11-1-2-12-25)24-22(29)16-5-3-15(4-6-16)14-26-20(27)9-10-21(26)28/h1-8,11-13H,9-10,14H2,(H,24,29).
What are the key properties of N-(4-chloro-2-pyrrol-1-ylphenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 407.86 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyrrol-1-ylphenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 56530350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).