N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide

C22H15ClN2O3 — CID 8762375

IUPACN-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H15ClN2O3/c23-16-8-10-17(11-9-16)24-20(26)15-5-3-4-14(12-15)13-25-21(27)18-6-1-2-7-19(18)22(25)28/h1-12H,13H2,(H,24,26)
InChIKeyWHUVEKAHNCXZSL-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.39
Rot. Bonds4

About N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide

N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide (PubChem CID 8762375) has the molecular formula C22H15ClN2O3 and a molecular weight of 390.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
PubChem CID8762375
Molecular FormulaC22H15ClN2O3
Molecular Weight390.83 g/mol
Exact Mass390.08
IUPAC NameN-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H15ClN2O3/c23-16-8-10-17(11-9-16)24-20(26)15-5-3-4-14(12-15)13-25-21(27)18-6-1-2-7-19(18)22(25)28/h1-12H,13H2,(H,24,26)
InChIKeyWHUVEKAHNCXZSL-UHFFFAOYSA-N
XLogP4.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 54.39
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-[4-(cyanomethyl)phenyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9260427
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 60510389
N-[2-(4-chlorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9217155
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9218396
N-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9146369
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide
CID 51548115
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9164957
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide
CID 60533789
[2-(4-chlorophenyl)-2-oxoethyl] 3-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 2682381
2-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]-5-chlorobenzoic acid
CID 155532441
3-[(E)-(1-benzyl-2,5-dioxopyrrolidin-3-ylidene)methyl]-N-(4-chlorophenyl)benzamide
CID 155528656

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The IUPAC name of N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide (CID 8762375) is N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide is O=C(Nc1ccc(Cl)cc1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The InChIKey is WHUVEKAHNCXZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O3/c23-16-8-10-17(11-9-16)24-20(26)15-5-3-4-14(12-15)13-25-21(27)18-6-1-2-7-19(18)22(25)28/h1-12H,13H2,(H,24,26).
What are the key properties of N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide has a molecular weight of 390.83 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide is sourced from PubChem (CID 8762375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).