2-chloro-N-cyclohexyl-5-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]benzamide

C25H26ClN3O4 — CID 55906524

IUPAC2-chloro-N-cyclohexyl-5-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]benzamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)Nc1ccc(Cl)c(C(=O)NC3CCCCC3)c1)C2=O
InChIInChI=1S/C25H26ClN3O4/c1-15-7-9-18-19(13-15)25(33)29(24(18)32)12-11-22(30)27-17-8-10-21(26)20(14-17)23(31)28-16-5-3-2-4-6-16/h7-10,13-14,16H,2-6,11-12H2,1H3,(H,27,30)(H,28,31)
InChIKeyPTMBYOYTKCBHLR-UHFFFAOYSA-N
MW467.95 g/mol
LogP4.34
Rot. Bonds6

About 2-chloro-N-cyclohexyl-5-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]benzamide

2-chloro-N-cyclohexyl-5-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]benzamide (PubChem CID 55906524) has the molecular formula C25H26ClN3O4 and a molecular weight of 467.95 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]benzamide
PubChem CID55906524
Molecular FormulaC25H26ClN3O4
Molecular Weight467.95 g/mol
Exact Mass467.16
IUPAC Name2-chloro-N-cyclohexyl-5-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]benzamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)Nc1ccc(Cl)c(C(=O)NC3CCCCC3)c1)C2=O
InChIInChI=1S/C25H26ClN3O4/c1-15-7-9-18-19(13-15)25(33)29(24(18)32)12-11-22(30)27-17-8-10-21(26)20(14-17)23(31)28-16-5-3-2-4-6-16/h7-10,13-14,16H,2-6,11-12H2,1H3,(H,27,30)(H,28,31)
InChIKeyPTMBYOYTKCBHLR-UHFFFAOYSA-N
XLogP4.34
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.95
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
CID 119743114
2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide
CID 17188521
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-chloro-N-cyclohexyl-5-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54815159
N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 9172413
2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 54818353
2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide
CID 60540414
4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]-N-propylbenzamide
CID 55894451
N-(3,4-dimethylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27167782
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822256
N-(2-chloro-4-fluorophenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30431439

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]benzamide (CID 55906524) is 2-chloro-N-cyclohexyl-5-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]benzamide is Cc1ccc2c(c1)C(=O)N(CCC(=O)Nc1ccc(Cl)c(C(=O)NC3CCCCC3)c1)C2=O.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]benzamide?
The InChIKey is PTMBYOYTKCBHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4/c1-15-7-9-18-19(13-15)25(33)29(24(18)32)12-11-22(30)27-17-8-10-21(26)20(14-17)23(31)28-16-5-3-2-4-6-16/h7-10,13-14,16H,2-6,11-12H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 2-chloro-N-cyclohexyl-5-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]benzamide?
2-chloro-N-cyclohexyl-5-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]benzamide has a molecular weight of 467.95 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]benzamide is sourced from PubChem (CID 55906524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).