N-[3-(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]prop-2-enamide

C15H17ClN2O2 — CID 166408491

IUPACN-[3-(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]prop-2-enamide
SMILESC=CC(=O)NCCC(=O)N1c2ccc(Cl)cc2CC1C
InChIInChI=1S/C15H17ClN2O2/c1-3-14(19)17-7-6-15(20)18-10(2)8-11-9-12(16)4-5-13(11)18/h3-5,9-10H,1,6-8H2,2H3,(H,17,19)
InChIKeyKGDWKBKHXKDIGH-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.31
Rot. Bonds4

About N-[3-(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]prop-2-enamide

N-[3-(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]prop-2-enamide (PubChem CID 166408491) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[3-(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]prop-2-enamide
PubChem CID166408491
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-[3-(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]prop-2-enamide
SMILESC=CC(=O)NCCC(=O)N1c2ccc(Cl)cc2CC1C
InChIInChI=1S/C15H17ClN2O2/c1-3-14(19)17-7-6-15(20)18-10(2)8-11-9-12(16)4-5-13(11)18/h3-5,9-10H,1,6-8H2,2H3,(H,17,19)
InChIKeyKGDWKBKHXKDIGH-UHFFFAOYSA-N
XLogP2.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]prop-2-enamide?
The IUPAC name of N-[3-(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]prop-2-enamide (CID 166408491) is N-[3-(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]prop-2-enamide.
What is the SMILES notation for N-[3-(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]prop-2-enamide?
The canonical SMILES for N-[3-(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]prop-2-enamide is C=CC(=O)NCCC(=O)N1c2ccc(Cl)cc2CC1C.
What is the InChIKey of N-[3-(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]prop-2-enamide?
The InChIKey is KGDWKBKHXKDIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-14(19)17-7-6-15(20)18-10(2)8-11-9-12(16)4-5-13(11)18/h3-5,9-10H,1,6-8H2,2H3,(H,17,19).
What are the key properties of N-[3-(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]prop-2-enamide?
N-[3-(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]prop-2-enamide has a molecular weight of 292.77 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]prop-2-enamide is sourced from PubChem (CID 166408491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).