5-chloro-3-[3-(cyclopropylmethoxy)propylamino]-1,3-dihydroindol-2-one

C15H19ClN2O2 — CID 43206785

IUPAC5-chloro-3-[3-(cyclopropylmethoxy)propylamino]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1NCCCOCC1CC1
InChIInChI=1S/C15H19ClN2O2/c16-11-4-5-13-12(8-11)14(15(19)18-13)17-6-1-7-20-9-10-2-3-10/h4-5,8,10,14,17H,1-3,6-7,9H2,(H,18,19)
InChIKeyCVEMXCNHZSNHID-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.74
Rot. Bonds7

About 5-chloro-3-[3-(cyclopropylmethoxy)propylamino]-1,3-dihydroindol-2-one

5-chloro-3-[3-(cyclopropylmethoxy)propylamino]-1,3-dihydroindol-2-one (PubChem CID 43206785) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 5-chloro-3-[3-(cyclopropylmethoxy)propylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-[3-(cyclopropylmethoxy)propylamino]-1,3-dihydroindol-2-one
PubChem CID43206785
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name5-chloro-3-[3-(cyclopropylmethoxy)propylamino]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1NCCCOCC1CC1
InChIInChI=1S/C15H19ClN2O2/c16-11-4-5-13-12(8-11)14(15(19)18-13)17-6-1-7-20-9-10-2-3-10/h4-5,8,10,14,17H,1-3,6-7,9H2,(H,18,19)
InChIKeyCVEMXCNHZSNHID-UHFFFAOYSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[3-(cyclopropylmethoxy)propylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-[3-(cyclopropylmethoxy)propylamino]-1,3-dihydroindol-2-one (CID 43206785) is 5-chloro-3-[3-(cyclopropylmethoxy)propylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-[3-(cyclopropylmethoxy)propylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-[3-(cyclopropylmethoxy)propylamino]-1,3-dihydroindol-2-one is O=C1Nc2ccc(Cl)cc2C1NCCCOCC1CC1.
What is the InChIKey of 5-chloro-3-[3-(cyclopropylmethoxy)propylamino]-1,3-dihydroindol-2-one?
The InChIKey is CVEMXCNHZSNHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-11-4-5-13-12(8-11)14(15(19)18-13)17-6-1-7-20-9-10-2-3-10/h4-5,8,10,14,17H,1-3,6-7,9H2,(H,18,19).
What are the key properties of 5-chloro-3-[3-(cyclopropylmethoxy)propylamino]-1,3-dihydroindol-2-one?
5-chloro-3-[3-(cyclopropylmethoxy)propylamino]-1,3-dihydroindol-2-one has a molecular weight of 294.78 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[3-(cyclopropylmethoxy)propylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43206785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).