N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

C17H12Cl2N2O3 — CID 2916493

IUPACN-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H12Cl2N2O3/c1-9(15(22)20-14-8-10(18)6-7-13(14)19)21-16(23)11-4-2-3-5-12(11)17(21)24/h2-9H,1H3,(H,20,22)
InChIKeyPJRNOJWQOIWJGJ-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.62
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 2916493) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID2916493
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC NameN-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H12Cl2N2O3/c1-9(15(22)20-14-8-10(18)6-7-13(14)19)21-16(23)11-4-2-3-5-12(11)17(21)24/h2-9H,1H3,(H,20,22)
InChIKeyPJRNOJWQOIWJGJ-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 935641
(2S)-N-(5-chloro-2-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7728470
N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3109173
(2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 8760285
(2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2238586
N-(2,5-dichlorophenyl)-2-(2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 84571846
(2S)-N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 9255789
N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 46696526
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7788336
(2R)-N-[4-(2,4-dichlorophenoxy)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 1217628
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597285
(2S)-N-[4-(2,4-dichlorophenoxy)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 1217627

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 2916493) is N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is CC(C(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is PJRNOJWQOIWJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-9(15(22)20-14-8-10(18)6-7-13(14)19)21-16(23)11-4-2-3-5-12(11)17(21)24/h2-9H,1H3,(H,20,22).
What are the key properties of N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 363.20 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 2916493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).