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

C18H15ClN2O3 — CID 2457939

IUPAC(2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESC[C@H](C(=O)NCc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15ClN2O3/c1-11(16(22)20-10-12-5-4-6-13(19)9-12)21-17(23)14-7-2-3-8-15(14)18(21)24/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m1/s1
InChIKeySIMPZEFRWOWMIQ-LLVKDONJSA-N
MW342.78 g/mol
LogP2.64
Rot. Bonds4

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

(2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 2457939) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is (2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID2457939
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name(2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESC[C@H](C(=O)NCc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15ClN2O3/c1-11(16(22)20-10-12-5-4-6-13(19)9-12)21-17(23)14-7-2-3-8-15(14)18(21)24/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m1/s1
InChIKeySIMPZEFRWOWMIQ-LLVKDONJSA-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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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 2926881
(2R)-N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2495850
N-butan-2-yl-3-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]benzamide
CID 55794894
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 8003176
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55377190
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide
CID 70795299
tert-butyl N-[2-[3-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]anilino]-2-oxoethyl]carbamate
CID 108918357
2-(1,3-dioxoisoindol-2-yl)-N-(2-naphthalen-1-ylethyl)propanamide
CID 2920554
N-[(3-chlorophenyl)methyl]-2-ethylbutanamide
CID 17071149
N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide
CID 58124287
N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2916493
(2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 31779050

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of (2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 2457939) is (2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for (2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for (2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide is C[C@H](C(=O)NCc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is SIMPZEFRWOWMIQ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-11(16(22)20-10-12-5-4-6-13(19)9-12)21-17(23)14-7-2-3-8-15(14)18(21)24/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m1/s1.
What are the key properties of (2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
(2R)-N-[(3-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 (2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 2457939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).