2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide

C22H16ClN3O3 — CID 56508672

IUPAC2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
SMILESO=C(CNc1ccccc1Cl)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H16ClN3O3/c23-18-10-3-4-11-19(18)24-13-20(27)25-14-6-5-7-15(12-14)26-21(28)16-8-1-2-9-17(16)22(26)29/h1-12,24H,13H2,(H,25,27)
InChIKeyBXVZXJVRCDSRAF-UHFFFAOYSA-N
MW405.84 g/mol
LogP4.19
Rot. Bonds5

About 2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide

2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide (PubChem CID 56508672) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
PubChem CID56508672
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC Name2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
SMILESO=C(CNc1ccccc1Cl)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H16ClN3O3/c23-18-10-3-4-11-19(18)24-13-20(27)25-14-6-5-7-15(12-14)26-21(28)16-8-1-2-9-17(16)22(26)29/h1-12,24H,13H2,(H,25,27)
InChIKeyBXVZXJVRCDSRAF-UHFFFAOYSA-N
XLogP4.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 54.19
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

3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56507680
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 168518228
3-[[2-(2-chloroanilino)acetyl]amino]benzamide
CID 54810533
2-(2-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54810505
2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide
CID 51132431
N-[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54810373
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 56506682
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 960947
2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54810439
2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54810243
2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54810249
2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9098739

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide (CID 56508672) is 2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide is O=C(CNc1ccccc1Cl)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide?
The InChIKey is BXVZXJVRCDSRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3/c23-18-10-3-4-11-19(18)24-13-20(27)25-14-6-5-7-15(12-14)26-21(28)16-8-1-2-9-17(16)22(26)29/h1-12,24H,13H2,(H,25,27).
What are the key properties of 2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide?
2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide has a molecular weight of 405.84 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide is sourced from PubChem (CID 56508672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).