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

C19H17ClN2O3 — CID 8751687

IUPAC(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESC[C@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O3/c1-11(13-7-9-14(20)10-8-13)21-17(23)12(2)22-18(24)15-5-3-4-6-16(15)19(22)25/h3-12H,1-2H3,(H,21,23)/t11-,12-/m0/s1
InChIKeyHKQIRQBCSQYJEK-RYUDHWBXSA-N
MW356.81 g/mol
LogP3.20
Rot. Bonds4

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

(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 8751687) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID8751687
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESC[C@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O3/c1-11(13-7-9-14(20)10-8-13)21-17(23)12(2)22-18(24)15-5-3-4-6-16(15)19(22)25/h3-12H,1-2H3,(H,21,23)/t11-,12-/m0/s1
InChIKeyHKQIRQBCSQYJEK-RYUDHWBXSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.20
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-(1-phenylethyl)propanamide
CID 2877850
N-[1-(3-bromophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55591432
2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 14542722
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388
N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2916493
2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283
(2S)-N-(5-chloro-2-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7728470
(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 935641
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 81352338
N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3109173
2-[1-[4-(4-chlorophenyl)phenyl]ethyl]isoindole-1,3-dione
CID 91078118
2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 2926881

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 8751687) is (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide is C[C@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is HKQIRQBCSQYJEK-RYUDHWBXSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-11(13-7-9-14(20)10-8-13)21-17(23)12(2)22-18(24)15-5-3-4-6-16(15)19(22)25/h3-12H,1-2H3,(H,21,23)/t11-,12-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 356.81 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 8751687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).