N-(1,3-dioxo-2-phenylisoindol-4-yl)-3-phenylpropanamide

C23H18N2O3 — CID 1041271

IUPACN-(1,3-dioxo-2-phenylisoindol-4-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C23H18N2O3/c26-20(15-14-16-8-3-1-4-9-16)24-19-13-7-12-18-21(19)23(28)25(22(18)27)17-10-5-2-6-11-17/h1-13H,14-15H2,(H,24,26)
InChIKeyGMVNLCGPRWIGHH-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.06
Rot. Bonds5

About N-(1,3-dioxo-2-phenylisoindol-4-yl)-3-phenylpropanamide

N-(1,3-dioxo-2-phenylisoindol-4-yl)-3-phenylpropanamide (PubChem CID 1041271) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(1,3-dioxo-2-phenylisoindol-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1,3-dioxo-2-phenylisoindol-4-yl)-3-phenylpropanamide
PubChem CID1041271
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC NameN-(1,3-dioxo-2-phenylisoindol-4-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C23H18N2O3/c26-20(15-14-16-8-3-1-4-9-16)24-19-13-7-12-18-21(19)23(28)25(22(18)27)17-10-5-2-6-11-17/h1-13H,14-15H2,(H,24,26)
InChIKeyGMVNLCGPRWIGHH-UHFFFAOYSA-N
XLogP4.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dioxo-2-phenylisoindol-4-yl)-2,2-dimethylpropanamide
CID 960391
3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
CID 1010239
N-(1,3-dioxo-2-phenylisoindol-4-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2937315
3-[4-(1,3-dioxoisoindol-2-yl)phenyl]propanoic acid
CID 17341627
N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide
CID 38300101
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 56508207
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(2-phenylethyl)acetamide
CID 110343488
N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide
CID 3318461
2-chloro-6-(3-phenylpropanoylamino)benzoic acid
CID 63723256
2-cyano-N-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]acetamide
CID 168522994
N-(2-bromo-4-methylphenyl)-3-phenylpropanamide
CID 730069
2-[3-[1,3-dioxo-5-(3-phenylpropanoyl)isoindol-2-yl]phenyl]-5-(3-phenylpropanoyl)isoindole-1,3-dione
CID 161175486

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxo-2-phenylisoindol-4-yl)-3-phenylpropanamide?
The IUPAC name of N-(1,3-dioxo-2-phenylisoindol-4-yl)-3-phenylpropanamide (CID 1041271) is N-(1,3-dioxo-2-phenylisoindol-4-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(1,3-dioxo-2-phenylisoindol-4-yl)-3-phenylpropanamide?
The canonical SMILES for N-(1,3-dioxo-2-phenylisoindol-4-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of N-(1,3-dioxo-2-phenylisoindol-4-yl)-3-phenylpropanamide?
The InChIKey is GMVNLCGPRWIGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c26-20(15-14-16-8-3-1-4-9-16)24-19-13-7-12-18-21(19)23(28)25(22(18)27)17-10-5-2-6-11-17/h1-13H,14-15H2,(H,24,26).
What are the key properties of N-(1,3-dioxo-2-phenylisoindol-4-yl)-3-phenylpropanamide?
N-(1,3-dioxo-2-phenylisoindol-4-yl)-3-phenylpropanamide has a molecular weight of 370.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxo-2-phenylisoindol-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 1041271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).