5-chloro-2-methoxy-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide

C20H19ClN2O4 — CID 1026498

IUPAC5-chloro-2-methoxy-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)C(=O)N(CC(C)C)C2=O
InChIInChI=1S/C20H19ClN2O4/c1-11(2)10-23-19(25)14-6-5-13(9-15(14)20(23)26)22-18(24)16-8-12(21)4-7-17(16)27-3/h4-9,11H,10H2,1-3H3,(H,22,24)
InChIKeyIOLXFVRQQPWZGG-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.85
Rot. Bonds5

About 5-chloro-2-methoxy-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide

5-chloro-2-methoxy-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide (PubChem CID 1026498) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide
PubChem CID1026498
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name5-chloro-2-methoxy-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)C(=O)N(CC(C)C)C2=O
InChIInChI=1S/C20H19ClN2O4/c1-11(2)10-23-19(25)14-6-5-13(9-15(14)20(23)26)22-18(24)16-8-12(21)4-7-17(16)27-3/h4-9,11H,10H2,1-3H3,(H,22,24)
InChIKeyIOLXFVRQQPWZGG-UHFFFAOYSA-N
XLogP3.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.85
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

2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide
CID 2232250
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide
CID 142452689
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 18229091
N-(4-bromo-3-methylphenyl)-5-chloro-2-methoxybenzamide
CID 2198688
5-chloro-N-[3-(1-hydroxyethyl)phenyl]-2-methoxybenzamide
CID 11841436
5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 1007459
N-(2,5-dimethoxyphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 1330294
N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 8743510
1-(4-bromophenyl)-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872403
5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide
CID 61073474

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide (CID 1026498) is 5-chloro-2-methoxy-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)C(=O)N(CC(C)C)C2=O.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide?
The InChIKey is IOLXFVRQQPWZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-11(2)10-23-19(25)14-6-5-13(9-15(14)20(23)26)22-18(24)16-8-12(21)4-7-17(16)27-3/h4-9,11H,10H2,1-3H3,(H,22,24).
What are the key properties of 5-chloro-2-methoxy-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide?
5-chloro-2-methoxy-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide has a molecular weight of 386.84 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide is sourced from PubChem (CID 1026498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).