1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone

C17H18N2O — CID 82536649

IUPAC1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccc3c(c2)CCN3C)cc1
InChIInChI=1S/C17H18N2O/c1-12(20)13-3-5-15(6-4-13)18-16-7-8-17-14(11-16)9-10-19(17)2/h3-8,11,18H,9-10H2,1-2H3
InChIKeyBXIBFDJLLRQLBQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.63
Rot. Bonds3

About 1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone

1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone (PubChem CID 82536649) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone
PubChem CID82536649
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccc3c(c2)CCN3C)cc1
InChIInChI=1S/C17H18N2O/c1-12(20)13-3-5-15(6-4-13)18-16-7-8-17-14(11-16)9-10-19(17)2/h3-8,11,18H,9-10H2,1-2H3
InChIKeyBXIBFDJLLRQLBQ-UHFFFAOYSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone (CID 82536649) is 1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone is CC(=O)c1ccc(Nc2ccc3c(c2)CCN3C)cc1.
What is the InChIKey of 1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone?
The InChIKey is BXIBFDJLLRQLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(20)13-3-5-15(6-4-13)18-16-7-8-17-14(11-16)9-10-19(17)2/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone?
1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone has a molecular weight of 266.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone is sourced from PubChem (CID 82536649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).