(2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethylphenyl)propanamide

C19H16Cl2N2O3 — CID 7611305

IUPAC(2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)[C@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1
InChIInChI=1S/C19H16Cl2N2O3/c1-9-4-10(2)6-12(5-9)22-17(24)11(3)23-18(25)13-7-15(20)16(21)8-14(13)19(23)26/h4-8,11H,1-3H3,(H,22,24)/t11-/m0/s1
InChIKeyJDMTULXHWJMBFI-NSHDSACASA-N
MW391.25 g/mol
LogP4.23
Rot. Bonds3

About (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethylphenyl)propanamide

(2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethylphenyl)propanamide (PubChem CID 7611305) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethylphenyl)propanamide
PubChem CID7611305
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Name(2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)[C@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1
InChIInChI=1S/C19H16Cl2N2O3/c1-9-4-10(2)6-12(5-9)22-17(24)11(3)23-18(25)13-7-15(20)16(21)8-14(13)19(23)26/h4-8,11H,1-3H3,(H,22,24)/t11-/m0/s1
InChIKeyJDMTULXHWJMBFI-NSHDSACASA-N
XLogP4.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.23
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

N-[4-(cyclopropylcarbamoylamino)phenyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 55877600
(2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 7610446
N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 55345703
N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 46696526
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 51140735
(2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide
CID 55942671
N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3109173
N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2916493
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
N-(cyclohexylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 42989877
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388
(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7104334

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethylphenyl)propanamide (CID 7611305) is (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethylphenyl)propanamide is Cc1cc(C)cc(NC(=O)[C@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1.
What is the InChIKey of (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is JDMTULXHWJMBFI-NSHDSACASA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-9-4-10(2)6-12(5-9)22-17(24)11(3)23-18(25)13-7-15(20)16(21)8-14(13)19(23)26/h4-8,11H,1-3H3,(H,22,24)/t11-/m0/s1.
What are the key properties of (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethylphenyl)propanamide?
(2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethylphenyl)propanamide has a molecular weight of 391.25 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 7611305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).