N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide

C24H21N3O3 — CID 2953922

IUPACN-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C24H21N3O3/c28-22(11-6-16-27-23(29)20-9-4-5-10-21(20)24(27)30)26-19-14-12-18(13-15-19)25-17-7-2-1-3-8-17/h1-5,7-10,12-15,25H,6,11,16H2,(H,26,28)
InChIKeyNFPBIVPNVZQYQT-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.45
Rot. Bonds7

About N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide

N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 2953922) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID2953922
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C24H21N3O3/c28-22(11-6-16-27-23(29)20-9-4-5-10-21(20)24(27)30)26-19-14-12-18(13-15-19)25-17-7-2-1-3-8-17/h1-5,7-10,12-15,25H,6,11,16H2,(H,26,28)
InChIKeyNFPBIVPNVZQYQT-UHFFFAOYSA-N
XLogP4.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.45
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-(4-anilinophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1301535
N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2303121
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzoic acid
CID 1238428
N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2204148
N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 34169021
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 108765888
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 34168388
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108751433
4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 1119719
6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide
CID 5023404
dimethyl 5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzene-1,3-dicarboxylate
CID 2682990

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 2953922) is N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is NFPBIVPNVZQYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-22(11-6-16-27-23(29)20-9-4-5-10-21(20)24(27)30)26-19-14-12-18(13-15-19)25-17-7-2-1-3-8-17/h1-5,7-10,12-15,25H,6,11,16H2,(H,26,28).
What are the key properties of N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 399.45 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 2953922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).