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

C21H23N3O2 — CID 3458349

IUPACN-cyclopropyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide
SMILESCC(C)N1C(=O)c2ccccc2C1Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C21H23N3O2/c1-13(2)24-19(17-5-3-4-6-18(17)21(24)26)22-15-9-7-14(8-10-15)20(25)23-16-11-12-16/h3-10,13,16,19,22H,11-12H2,1-2H3,(H,23,25)
InChIKeyBANIUKWMLLECOU-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.55
Rot. Bonds5

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

N-cyclopropyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide (PubChem CID 3458349) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-cyclopropyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide
PubChem CID3458349
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-cyclopropyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide
SMILESCC(C)N1C(=O)c2ccccc2C1Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C21H23N3O2/c1-13(2)24-19(17-5-3-4-6-18(17)21(24)26)22-15-9-7-14(8-10-15)20(25)23-16-11-12-16/h3-10,13,16,19,22H,11-12H2,1-2H3,(H,23,25)
InChIKeyBANIUKWMLLECOU-UHFFFAOYSA-N
XLogP3.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide
CID 3990876
N-(4-fluorophenyl)-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide
CID 3275934
N-cyclopropyl-4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 42663465
N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide
CID 3238693
4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide
CID 42765807
N-(3,4-dimethylphenyl)-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 93102014
N-[(2R)-butan-2-yl]-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 1196195
4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide
CID 4991609
N-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 3995947
N-benzhydryl-4-[[2-(3-methylbutyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 42663547
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
N-cyclopropyl-2,5-dioxo-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
CID 53384173

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide (CID 3458349) is N-cyclopropyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide is CC(C)N1C(=O)c2ccccc2C1Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide?
The InChIKey is BANIUKWMLLECOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13(2)24-19(17-5-3-4-6-18(17)21(24)26)22-15-9-7-14(8-10-15)20(25)23-16-11-12-16/h3-10,13,16,19,22H,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-cyclopropyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide?
N-cyclopropyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide is sourced from PubChem (CID 3458349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).