(3S)-6-chloro-3-[(1R)-1-(3-chlorophenyl)pent-4-enyl]-1,3-dihydroindol-2-one

C19H17Cl2NO — CID 124585221

IUPAC(3S)-6-chloro-3-[(1R)-1-(3-chlorophenyl)pent-4-enyl]-1,3-dihydroindol-2-one
SMILESC=CCC[C@@H](c1cccc(Cl)c1)[C@@H]1C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C19H17Cl2NO/c1-2-3-7-15(12-5-4-6-13(20)10-12)18-16-9-8-14(21)11-17(16)22-19(18)23/h2,4-6,8-11,15,18H,1,3,7H2,(H,22,23)/t15-,18-/m0/s1
InChIKeyIPYQVNLMOWVRJC-YJBOKZPZSA-N
MW346.26 g/mol
LogP5.78
Rot. Bonds5

About (3S)-6-chloro-3-[(1R)-1-(3-chlorophenyl)pent-4-enyl]-1,3-dihydroindol-2-one

(3S)-6-chloro-3-[(1R)-1-(3-chlorophenyl)pent-4-enyl]-1,3-dihydroindol-2-one (PubChem CID 124585221) has the molecular formula C19H17Cl2NO and a molecular weight of 346.26 g/mol. Its IUPAC name is (3S)-6-chloro-3-[(1R)-1-(3-chlorophenyl)pent-4-enyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-6-chloro-3-[(1R)-1-(3-chlorophenyl)pent-4-enyl]-1,3-dihydroindol-2-one
PubChem CID124585221
Molecular FormulaC19H17Cl2NO
Molecular Weight346.26 g/mol
Exact Mass345.07
IUPAC Name(3S)-6-chloro-3-[(1R)-1-(3-chlorophenyl)pent-4-enyl]-1,3-dihydroindol-2-one
SMILESC=CCC[C@@H](c1cccc(Cl)c1)[C@@H]1C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C19H17Cl2NO/c1-2-3-7-15(12-5-4-6-13(20)10-12)18-16-9-8-14(21)11-17(16)22-19(18)23/h2,4-6,8-11,15,18H,1,3,7H2,(H,22,23)/t15-,18-/m0/s1
InChIKeyIPYQVNLMOWVRJC-YJBOKZPZSA-N
XLogP5.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.26
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-chloro-3-[(1R)-1-(3-chlorophenyl)pent-4-enyl]-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-6-chloro-3-[(1R)-1-(3-chlorophenyl)pent-4-enyl]-1,3-dihydroindol-2-one (CID 124585221) is (3S)-6-chloro-3-[(1R)-1-(3-chlorophenyl)pent-4-enyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-6-chloro-3-[(1R)-1-(3-chlorophenyl)pent-4-enyl]-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-6-chloro-3-[(1R)-1-(3-chlorophenyl)pent-4-enyl]-1,3-dihydroindol-2-one is C=CCC[C@@H](c1cccc(Cl)c1)[C@@H]1C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of (3S)-6-chloro-3-[(1R)-1-(3-chlorophenyl)pent-4-enyl]-1,3-dihydroindol-2-one?
The InChIKey is IPYQVNLMOWVRJC-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H17Cl2NO/c1-2-3-7-15(12-5-4-6-13(20)10-12)18-16-9-8-14(21)11-17(16)22-19(18)23/h2,4-6,8-11,15,18H,1,3,7H2,(H,22,23)/t15-,18-/m0/s1.
What are the key properties of (3S)-6-chloro-3-[(1R)-1-(3-chlorophenyl)pent-4-enyl]-1,3-dihydroindol-2-one?
(3S)-6-chloro-3-[(1R)-1-(3-chlorophenyl)pent-4-enyl]-1,3-dihydroindol-2-one has a molecular weight of 346.26 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-chloro-3-[(1R)-1-(3-chlorophenyl)pent-4-enyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 124585221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).