N-(4-fluorophenyl)-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide

C24H22FN3O2 — CID 3275934

IUPACN-(4-fluorophenyl)-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide
SMILESCC(C)N1C(=O)c2ccccc2C1Nc1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C24H22FN3O2/c1-15(2)28-22(20-5-3-4-6-21(20)24(28)30)26-18-11-7-16(8-12-18)23(29)27-19-13-9-17(25)10-14-19/h3-15,22,26H,1-2H3,(H,27,29)
InChIKeyNPUNZBLWHFOLIA-UHFFFAOYSA-N
MW403.46 g/mol
LogP5.05
Rot. Bonds5

About N-(4-fluorophenyl)-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide

N-(4-fluorophenyl)-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide (PubChem CID 3275934) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide
PubChem CID3275934
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC NameN-(4-fluorophenyl)-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide
SMILESCC(C)N1C(=O)c2ccccc2C1Nc1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C24H22FN3O2/c1-15(2)28-22(20-5-3-4-6-21(20)24(28)30)26-18-11-7-16(8-12-18)23(29)27-19-13-9-17(25)10-14-19/h3-15,22,26H,1-2H3,(H,27,29)
InChIKeyNPUNZBLWHFOLIA-UHFFFAOYSA-N
XLogP5.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.46
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide
CID 3458349
N-(2-fluorophenyl)-4-[[3-oxo-2-(4-phenylbutan-2-yl)-1H-isoindol-1-yl]amino]benzamide
CID 5123724
N-(2-fluorophenyl)-4-[[2-[(4-fluorophenyl)methyl]-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 42765834
N-(3,4-dimethylphenyl)-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 93102014
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
N-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide
CID 42765808
4-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-(4-fluorophenyl)benzamide
CID 1292911
4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(4-fluorophenyl)benzamide
CID 2932945
N-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 3995947
4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide
CID 4991609
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
N-benzyl-4-[[3-oxo-2-(4-phenylbutan-2-yl)-1H-isoindol-1-yl]amino]-N-(2-phenylethyl)benzamide
CID 42663718

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide (CID 3275934) is N-(4-fluorophenyl)-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide is CC(C)N1C(=O)c2ccccc2C1Nc1ccc(C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide?
The InChIKey is NPUNZBLWHFOLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-15(2)28-22(20-5-3-4-6-21(20)24(28)30)26-18-11-7-16(8-12-18)23(29)27-19-13-9-17(25)10-14-19/h3-15,22,26H,1-2H3,(H,27,29).
What are the key properties of N-(4-fluorophenyl)-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide?
N-(4-fluorophenyl)-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide has a molecular weight of 403.46 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide is sourced from PubChem (CID 3275934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).