N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide

C22H15ClN2O3 — CID 19754764

IUPACN-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide
SMILESO=C1c2ccccc2C(=O)N1CC(=O)N(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C22H15ClN2O3/c23-15-7-6-10-17(13-15)25(16-8-2-1-3-9-16)20(26)14-24-21(27)18-11-4-5-12-19(18)22(24)28/h1-13H,14H2
InChIKeyRUNAQTJMANPYNC-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.30
Rot. Bonds4

About N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide

N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide (PubChem CID 19754764) has the molecular formula C22H15ClN2O3 and a molecular weight of 390.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide
PubChem CID19754764
Molecular FormulaC22H15ClN2O3
Molecular Weight390.83 g/mol
Exact Mass390.08
IUPAC NameN-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide
SMILESO=C1c2ccccc2C(=O)N1CC(=O)N(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C22H15ClN2O3/c23-15-7-6-10-17(13-15)25(16-8-2-1-3-9-16)20(26)14-24-21(27)18-11-4-5-12-19(18)22(24)28/h1-13H,14H2
InChIKeyRUNAQTJMANPYNC-UHFFFAOYSA-N
XLogP4.30
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dioxoindol-1-yl)-N,N-diphenylacetamide
CID 4713777
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-phenylacetamide
CID 884073
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide
CID 113201346
N-[(3-chlorophenyl)methyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18135929
N-[2-(4-chloro-N-methylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide
CID 14996846
2-(1,3-dioxoisoindol-2-yl)acetyl chloride
CID 11031536
2-[4-(3-chlorophenoxy)butyl]isoindole-1,3-dione
CID 170886143
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 8918958
2-(4-chloro-1,3-dioxoisoindol-2-yl)acetic acid
CID 117031849
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
N-benzyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 2708411

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide (CID 19754764) is N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide is O=C1c2ccccc2C(=O)N1CC(=O)N(c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide?
The InChIKey is RUNAQTJMANPYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O3/c23-15-7-6-10-17(13-15)25(16-8-2-1-3-9-16)20(26)14-24-21(27)18-11-4-5-12-19(18)22(24)28/h1-13H,14H2.
What are the key properties of N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide?
N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide has a molecular weight of 390.83 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide is sourced from PubChem (CID 19754764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).