7-(2-chloropropanoyl)-3,5-diethyl-1,3-dihydroindol-2-one

C15H18ClNO2 — CID 82104825

IUPAC7-(2-chloropropanoyl)-3,5-diethyl-1,3-dihydroindol-2-one
SMILESCCc1cc(C(=O)C(C)Cl)c2c(c1)C(CC)C(=O)N2
InChIInChI=1S/C15H18ClNO2/c1-4-9-6-11-10(5-2)15(19)17-13(11)12(7-9)14(18)8(3)16/h6-8,10H,4-5H2,1-3H3,(H,17,19)
InChIKeyGGMRDOINJRXPBC-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.50
Rot. Bonds4

About 7-(2-chloropropanoyl)-3,5-diethyl-1,3-dihydroindol-2-one

7-(2-chloropropanoyl)-3,5-diethyl-1,3-dihydroindol-2-one (PubChem CID 82104825) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 7-(2-chloropropanoyl)-3,5-diethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(2-chloropropanoyl)-3,5-diethyl-1,3-dihydroindol-2-one
PubChem CID82104825
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name7-(2-chloropropanoyl)-3,5-diethyl-1,3-dihydroindol-2-one
SMILESCCc1cc(C(=O)C(C)Cl)c2c(c1)C(CC)C(=O)N2
InChIInChI=1S/C15H18ClNO2/c1-4-9-6-11-10(5-2)15(19)17-13(11)12(7-9)14(18)8(3)16/h6-8,10H,4-5H2,1-3H3,(H,17,19)
InChIKeyGGMRDOINJRXPBC-UHFFFAOYSA-N
XLogP3.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one
CID 82172672
7-[amino-(4-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172666
7-[amino-(2-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172664
7-(3-aminopropyl)-3,5-diethyl-1,3-dihydroindol-2-one
CID 82190562
7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172665
5-(2-aminopropyl)-3-ethyl-7-methyl-1,3-dihydroindol-2-one
CID 82190504
2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one
CID 82267769
5-(2-aminoethyl)-7-chloro-3-ethyl-1,3-dihydroindol-2-one
CID 82190581
N-[8-(2-chloropropanoyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82166073
1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one
CID 130983756
7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 82173752
5-(1-amino-2-methylpropyl)-3,7-diethyl-1,3-dihydroindol-2-one
CID 82172974

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloropropanoyl)-3,5-diethyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-(2-chloropropanoyl)-3,5-diethyl-1,3-dihydroindol-2-one (CID 82104825) is 7-(2-chloropropanoyl)-3,5-diethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(2-chloropropanoyl)-3,5-diethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(2-chloropropanoyl)-3,5-diethyl-1,3-dihydroindol-2-one is CCc1cc(C(=O)C(C)Cl)c2c(c1)C(CC)C(=O)N2.
What is the InChIKey of 7-(2-chloropropanoyl)-3,5-diethyl-1,3-dihydroindol-2-one?
The InChIKey is GGMRDOINJRXPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-4-9-6-11-10(5-2)15(19)17-13(11)12(7-9)14(18)8(3)16/h6-8,10H,4-5H2,1-3H3,(H,17,19).
What are the key properties of 7-(2-chloropropanoyl)-3,5-diethyl-1,3-dihydroindol-2-one?
7-(2-chloropropanoyl)-3,5-diethyl-1,3-dihydroindol-2-one has a molecular weight of 279.77 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloropropanoyl)-3,5-diethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82104825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).