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

C17H13ClN2O3 — CID 3109173

IUPACN-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1Cl)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13ClN2O3/c1-10(15(21)19-14-9-5-4-8-13(14)18)20-16(22)11-6-2-3-7-12(11)17(20)23/h2-10H,1H3,(H,19,21)
InChIKeyAXYZXYYPFYOSSB-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.96
Rot. Bonds3

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

N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 3109173) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID3109173
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC NameN-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1Cl)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13ClN2O3/c1-10(15(21)19-14-9-5-4-8-13(14)18)20-16(22)11-6-2-3-7-12(11)17(20)23/h2-10H,1H3,(H,19,21)
InChIKeyAXYZXYYPFYOSSB-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.96
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-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2916493
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 46696526
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide
CID 738623
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 1112277
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 2787226
(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 935641
(2S)-N-(5-chloro-2-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7728470
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 39911850
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 78699303
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 51140735

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 3109173) is N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is CC(C(=O)Nc1ccccc1Cl)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is AXYZXYYPFYOSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-10(15(21)19-14-9-5-4-8-13(14)18)20-16(22)11-6-2-3-7-12(11)17(20)23/h2-10H,1H3,(H,19,21).
What are the key properties of N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 328.76 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 3109173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).