4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide

C25H20ClN3O4 — CID 55677974

IUPAC4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H20ClN3O4/c26-17-13-11-16(12-14-17)23(31)28-21-9-4-3-8-20(21)27-22(30)10-5-15-29-24(32)18-6-1-2-7-19(18)25(29)33/h1-4,6-9,11-14H,5,10,15H2,(H,27,30)(H,28,31)
InChIKeyMFPPGHLOPLRNEK-UHFFFAOYSA-N
MW461.91 g/mol
LogP4.61
Rot. Bonds7

About 4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide

4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide (PubChem CID 55677974) has the molecular formula C25H20ClN3O4 and a molecular weight of 461.91 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide
PubChem CID55677974
Molecular FormulaC25H20ClN3O4
Molecular Weight461.91 g/mol
Exact Mass461.11
IUPAC Name4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H20ClN3O4/c26-17-13-11-16(12-14-17)23(31)28-21-9-4-3-8-20(21)27-22(30)10-5-15-29-24(32)18-6-1-2-7-19(18)25(29)33/h1-4,6-9,11-14H,5,10,15H2,(H,27,30)(H,28,31)
InChIKeyMFPPGHLOPLRNEK-UHFFFAOYSA-N
XLogP4.61
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 54.61
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

N-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 78778183
N-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide
CID 55811982
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 108933494
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4791353
N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110604119
N-(5-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2664572
N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2303121
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108542670
N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867517
N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide
CID 2598564
tert-butyl N-[3-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]anilino]-3-oxopropyl]carbamate
CID 108920274

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide (CID 55677974) is 4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide?
The InChIKey is MFPPGHLOPLRNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O4/c26-17-13-11-16(12-14-17)23(31)28-21-9-4-3-8-20(21)27-22(30)10-5-15-29-24(32)18-6-1-2-7-19(18)25(29)33/h1-4,6-9,11-14H,5,10,15H2,(H,27,30)(H,28,31).
What are the key properties of 4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide?
4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide has a molecular weight of 461.91 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide is sourced from PubChem (CID 55677974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).