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

C25H21ClN2O3 — CID 55725964

IUPACN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-phenylpentanamide
SMILESCCCC(C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1ccccc1
InChIInChI=1S/C25H21ClN2O3/c1-2-8-18(16-9-4-3-5-10-16)23(29)27-17-13-14-22(21(26)15-17)28-24(30)19-11-6-7-12-20(19)25(28)31/h3-7,9-15,18H,2,8H2,1H3,(H,27,29)
InChIKeyQSWUDOFYXSRKLU-UHFFFAOYSA-N
MW432.91 g/mol
LogP5.66
Rot. Bonds6

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

N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-phenylpentanamide (PubChem CID 55725964) has the molecular formula C25H21ClN2O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-phenylpentanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-phenylpentanamide
PubChem CID55725964
Molecular FormulaC25H21ClN2O3
Molecular Weight432.91 g/mol
Exact Mass432.12
IUPAC NameN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-phenylpentanamide
SMILESCCCC(C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1ccccc1
InChIInChI=1S/C25H21ClN2O3/c1-2-8-18(16-9-4-3-5-10-16)23(29)27-17-13-14-22(21(26)15-17)28-24(30)19-11-6-7-12-20(19)25(28)31/h3-7,9-15,18H,2,8H2,1H3,(H,27,29)
InChIKeyQSWUDOFYXSRKLU-UHFFFAOYSA-N
XLogP5.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.66
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-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylsulfonylpropanamide
CID 55778796
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-5-ethylfuran-2-carboxamide
CID 122193161
N-(4-bromo-3-methylphenyl)-2-phenylpentanamide
CID 16552824
N-(3-acetylphenyl)-2-phenylpentanamide
CID 43009729
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-5-methylsulfonylfuran-2-carboxamide
CID 122193167
3-[[(2R)-2-phenylpentanoyl]amino]benzamide
CID 41260026
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide
CID 51866041
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]buta-2,3-dienamide
CID 176547430
N-[1-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 55778376
2,5-dichloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-3-carboxamide
CID 55778635
N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide
CID 16551195
N-(4-ethoxyphenyl)-2-phenylpentanamide
CID 112760775

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-phenylpentanamide?
The IUPAC name of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-phenylpentanamide (CID 55725964) is N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-phenylpentanamide.
What is the SMILES notation for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-phenylpentanamide?
The canonical SMILES for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-phenylpentanamide is CCCC(C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-phenylpentanamide?
The InChIKey is QSWUDOFYXSRKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3/c1-2-8-18(16-9-4-3-5-10-16)23(29)27-17-13-14-22(21(26)15-17)28-24(30)19-11-6-7-12-20(19)25(28)31/h3-7,9-15,18H,2,8H2,1H3,(H,27,29).
What are the key properties of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-phenylpentanamide?
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-phenylpentanamide has a molecular weight of 432.91 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-phenylpentanamide is sourced from PubChem (CID 55725964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).