N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

C19H17ClN2O3 — CID 1189086

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1cc(C)c(NC(=O)CCN2C(=O)c3ccccc3C2=O)c(Cl)c1
InChIInChI=1S/C19H17ClN2O3/c1-11-9-12(2)17(15(20)10-11)21-16(23)7-8-22-18(24)13-5-3-4-6-14(13)19(22)25/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)
InChIKeyPEWLYURXDRLMPF-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.58
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 1189086) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID1189086
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1cc(C)c(NC(=O)CCN2C(=O)c3ccccc3C2=O)c(Cl)c1
InChIInChI=1S/C19H17ClN2O3/c1-11-9-12(2)17(15(20)10-11)21-16(23)7-8-22-18(24)13-5-3-4-6-14(13)19(22)25/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)
InChIKeyPEWLYURXDRLMPF-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.58
H-Bond Donors ≤ 51
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-(2-chloro-4,6-dimethylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 1189086) is N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is Cc1cc(C)c(NC(=O)CCN2C(=O)c3ccccc3C2=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is PEWLYURXDRLMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-11-9-12(2)17(15(20)10-11)21-16(23)7-8-22-18(24)13-5-3-4-6-14(13)19(22)25/h3-6,9-10H,7-8H2,1-2H3,(H,21,23).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 356.81 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 1189086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).