N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide

C20H19ClN2O3 — CID 51949788

IUPACN-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESC[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H19ClN2O3/c1-13(12-14-6-8-15(21)9-7-14)22-18(24)10-11-23-19(25)16-4-2-3-5-17(16)20(23)26/h2-9,13H,10-12H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyACGPEGXYOAZNDT-ZDUSSCGKSA-N
MW370.84 g/mol
LogP3.07
Rot. Bonds6

About N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide

N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 51949788) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID51949788
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC NameN-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESC[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H19ClN2O3/c1-13(12-14-6-8-15(21)9-7-14)22-18(24)10-11-23-19(25)16-4-2-3-5-17(16)20(23)26/h2-9,13H,10-12H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyACGPEGXYOAZNDT-ZDUSSCGKSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.07
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-[(2S)-1-(3-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 51950189
N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 51950190
3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 51571611
N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79200504
6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide
CID 43700876
2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide
CID 60860440
3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 42896543
3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 27782319
3-(1,3-dioxoisoindol-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]propanamide
CID 45146224
3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 51534434
2-(1,3-dioxoisoindol-2-yl)ethyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209289
2-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 108568446

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 51949788) is N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide is C[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is ACGPEGXYOAZNDT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-13(12-14-6-8-15(21)9-7-14)22-18(24)10-11-23-19(25)16-4-2-3-5-17(16)20(23)26/h2-9,13H,10-12H2,1H3,(H,22,24)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 370.84 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 51949788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).