2-(2,4-dichlorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide

C18H14Cl2N2O4 — CID 2953826

IUPAC2-(2,4-dichlorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C18H14Cl2N2O4/c1-9(26-15-6-3-10(19)7-14(15)20)16(23)21-11-4-5-12-13(8-11)18(25)22(2)17(12)24/h3-9H,1-2H3,(H,21,23)
InChIKeyAVWKFFDYZFMHQU-UHFFFAOYSA-N
MW393.23 g/mol
LogP3.63
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide

2-(2,4-dichlorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide (PubChem CID 2953826) has the molecular formula C18H14Cl2N2O4 and a molecular weight of 393.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
PubChem CID2953826
Molecular FormulaC18H14Cl2N2O4
Molecular Weight393.23 g/mol
Exact Mass392.03
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C18H14Cl2N2O4/c1-9(26-15-6-3-10(19)7-14(15)20)16(23)21-11-4-5-12-13(8-11)18(25)22(2)17(12)24/h3-9H,1-2H3,(H,21,23)
InChIKeyAVWKFFDYZFMHQU-UHFFFAOYSA-N
XLogP3.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 53.63
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

N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
2-chloro-4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoic acid
CID 28677019
(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
(2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 28867630
(2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 28867631
2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 42561530
(2R)-2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)propanamide
CID 2164297

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide (CID 2953826) is 2-(2,4-dichlorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The InChIKey is AVWKFFDYZFMHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O4/c1-9(26-15-6-3-10(19)7-14(15)20)16(23)21-11-4-5-12-13(8-11)18(25)22(2)17(12)24/h3-9H,1-2H3,(H,21,23).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
2-(2,4-dichlorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide has a molecular weight of 393.23 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide is sourced from PubChem (CID 2953826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).