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

C18H15ClN2O3 — CID 3990198

IUPACN-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)NCc1ccccc1Cl)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15ClN2O3/c1-11(16(22)20-10-12-6-2-5-9-15(12)19)21-17(23)13-7-3-4-8-14(13)18(21)24/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyNBYDAMKSJGPHBA-UHFFFAOYSA-N
MW342.78 g/mol
LogP2.64
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 3990198) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID3990198
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)NCc1ccccc1Cl)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15ClN2O3/c1-11(16(22)20-10-12-6-2-5-9-15(12)19)21-17(23)13-7-3-4-8-14(13)18(21)24/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyNBYDAMKSJGPHBA-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 3990198) is N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide is CC(C(=O)NCc1ccccc1Cl)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is NBYDAMKSJGPHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-11(16(22)20-10-12-6-2-5-9-15(12)19)21-17(23)13-7-3-4-8-14(13)18(21)24/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 342.78 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 3990198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).