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

C18H15ClN2O4 — CID 981918

IUPAC(2S)-2-(4-chloro-2-methylphenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1cc(Cl)ccc1O[C@@H](C)C(=O)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15ClN2O4/c1-10-9-12(19)7-8-15(10)25-11(2)16(22)20-21-17(23)13-5-3-4-6-14(13)18(21)24/h3-9,11H,1-2H3,(H,20,22)/t11-/m0/s1
InChIKeyYDOKASDKSLJRDH-NSHDSACASA-N
MW358.78 g/mol
LogP2.74
Rot. Bonds4

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

(2S)-2-(4-chloro-2-methylphenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 981918) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is (2S)-2-(4-chloro-2-methylphenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-2-methylphenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID981918
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name(2S)-2-(4-chloro-2-methylphenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1cc(Cl)ccc1O[C@@H](C)C(=O)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15ClN2O4/c1-10-9-12(19)7-8-15(10)25-11(2)16(22)20-21-17(23)13-5-3-4-6-14(13)18(21)24/h3-9,11H,1-2H3,(H,20,22)/t11-/m0/s1
InChIKeyYDOKASDKSLJRDH-NSHDSACASA-N
XLogP2.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 52.74
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

(2S)-2-(2,4-dichlorophenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide
CID 1010977
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
(2R)-2-(4-chloro-2-methylphenoxy)-N-(2-fluorophenyl)propanamide
CID 724043
(2S)-2-(4-chloro-2-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide
CID 7027007
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1009322
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide
CID 8708990
(2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide
CID 8709004
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 1371714
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-2-methylphenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of (2S)-2-(4-chloro-2-methylphenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide (CID 981918) is (2S)-2-(4-chloro-2-methylphenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-2-methylphenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for (2S)-2-(4-chloro-2-methylphenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide is Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NN1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-2-(4-chloro-2-methylphenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is YDOKASDKSLJRDH-NSHDSACASA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-10-9-12(19)7-8-15(10)25-11(2)16(22)20-21-17(23)13-5-3-4-6-14(13)18(21)24/h3-9,11H,1-2H3,(H,20,22)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-2-methylphenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide?
(2S)-2-(4-chloro-2-methylphenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 358.78 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-2-methylphenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 981918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).