N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide

C21H16Cl2N4O3 — CID 55434210

IUPACN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C21H16Cl2N4O3/c22-16-6-2-4-14(20(16)23)12-26-17(9-10-24-26)25-21(30)13-3-1-5-15(11-13)27-18(28)7-8-19(27)29/h1-6,9-11H,7-8,12H2,(H,25,30)
InChIKeyIEPXPMVSWLIHFP-UHFFFAOYSA-N
MW443.29 g/mol
LogP4.14
Rot. Bonds5

About N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide

N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 55434210) has the molecular formula C21H16Cl2N4O3 and a molecular weight of 443.29 g/mol. Its IUPAC name is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID55434210
Molecular FormulaC21H16Cl2N4O3
Molecular Weight443.29 g/mol
Exact Mass442.06
IUPAC NameN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C21H16Cl2N4O3/c22-16-6-2-4-14(20(16)23)12-26-17(9-10-24-26)25-21(30)13-3-1-5-15(11-13)27-18(28)7-8-19(27)29/h1-6,9-11H,7-8,12H2,(H,25,30)
InChIKeyIEPXPMVSWLIHFP-UHFFFAOYSA-N
XLogP4.14
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55776817
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 24509870
4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide
CID 24509823
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
CID 18193320
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide
CID 31976011
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55434125
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119274816
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5-fluoro-2-methylbenzamide
CID 52544670
3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 17464648
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-methylphenyl)acetamide
CID 18096376
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18096350
1-[[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122090605

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 55434210) is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide is O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is IEPXPMVSWLIHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O3/c22-16-6-2-4-14(20(16)23)12-26-17(9-10-24-26)25-21(30)13-3-1-5-15(11-13)27-18(28)7-8-19(27)29/h1-6,9-11H,7-8,12H2,(H,25,30).
What are the key properties of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 443.29 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 55434210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).