(2S)-2-(2,4-dichlorophenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide

C17H12Cl2N2O4 — CID 1010977

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H12Cl2N2O4/c1-9(25-14-7-6-10(18)8-13(14)19)15(22)20-21-16(23)11-4-2-3-5-12(11)17(21)24/h2-9H,1H3,(H,20,22)/t9-/m0/s1
InChIKeyTZMWRGXFVHOKKL-VIFPVBQESA-N
MW379.20 g/mol
LogP3.09
Rot. Bonds4

About (2S)-2-(2,4-dichlorophenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide

(2S)-2-(2,4-dichlorophenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 1010977) has the molecular formula C17H12Cl2N2O4 and a molecular weight of 379.20 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID1010977
Molecular FormulaC17H12Cl2N2O4
Molecular Weight379.20 g/mol
Exact Mass378.02
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H12Cl2N2O4/c1-9(25-14-7-6-10(18)8-13(14)19)15(22)20-21-16(23)11-4-2-3-5-12(11)17(21)24/h2-9H,1H3,(H,20,22)/t9-/m0/s1
InChIKeyTZMWRGXFVHOKKL-VIFPVBQESA-N
XLogP3.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-(2,4-dichlorophenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-chloro-2-methylphenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide
CID 981918
2-(2,4-dichlorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 2953826
(2S)-2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61138004
(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
CID 672613
2-(2,4-dichlorophenoxy)-N-(phenylcarbamoyl)propanamide
CID 24569411
N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 55734024
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide (CID 1010977) is (2S)-2-(2,4-dichlorophenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide is C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is TZMWRGXFVHOKKL-VIFPVBQESA-N. The full InChI is InChI=1S/C17H12Cl2N2O4/c1-9(25-14-7-6-10(18)8-13(14)19)15(22)20-21-16(23)11-4-2-3-5-12(11)17(21)24/h2-9H,1H3,(H,20,22)/t9-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide?
(2S)-2-(2,4-dichlorophenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 379.20 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 1010977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).