N-(2-chlorophenyl)-2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide

C21H14ClN3O3 — CID 17360966

IUPACN-(2-chlorophenyl)-2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccnc(N2C(=O)c3ccc(C(=O)Nc4ccccc4Cl)cc3C2=O)c1
InChIInChI=1S/C21H14ClN3O3/c1-12-8-9-23-18(10-12)25-20(27)14-7-6-13(11-15(14)21(25)28)19(26)24-17-5-3-2-4-16(17)22/h2-11H,1H3,(H,24,26)
InChIKeyWDFGXVJOQDNJNE-UHFFFAOYSA-N
MW391.81 g/mol
LogP4.10
Rot. Bonds3

About N-(2-chlorophenyl)-2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide

N-(2-chlorophenyl)-2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 17360966) has the molecular formula C21H14ClN3O3 and a molecular weight of 391.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID17360966
Molecular FormulaC21H14ClN3O3
Molecular Weight391.81 g/mol
Exact Mass391.07
IUPAC NameN-(2-chlorophenyl)-2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccnc(N2C(=O)c3ccc(C(=O)Nc4ccccc4Cl)cc3C2=O)c1
InChIInChI=1S/C21H14ClN3O3/c1-12-8-9-23-18(10-12)25-20(27)14-7-6-13(11-15(14)21(25)28)19(26)24-17-5-3-2-4-16(17)22/h2-11H,1H3,(H,24,26)
InChIKeyWDFGXVJOQDNJNE-UHFFFAOYSA-N
XLogP4.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 54.10
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

2-(4-methyl-2-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 17361656
N-(2-chlorophenyl)-4-methylpyridine-2-carboxamide
CID 110858745
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
N-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 26720485
N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
CID 1350530
methyl 3-[[2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carbonyl]amino]-2-hydroxybenzoate
CID 108768103
N-(2-chlorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956204
4-N-(2-chlorophenyl)-2-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109092151
N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 1117009
2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 109177376
2-(4-ethoxyphenyl)-N-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 27166980
N-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7900395

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide (CID 17360966) is N-(2-chlorophenyl)-2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide is Cc1ccnc(N2C(=O)c3ccc(C(=O)Nc4ccccc4Cl)cc3C2=O)c1.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is WDFGXVJOQDNJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O3/c1-12-8-9-23-18(10-12)25-20(27)14-7-6-13(11-15(14)21(25)28)19(26)24-17-5-3-2-4-16(17)22/h2-11H,1H3,(H,24,26).
What are the key properties of N-(2-chlorophenyl)-2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide?
N-(2-chlorophenyl)-2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 391.81 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 17360966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).