(2-fluorophenyl)-(2-methyl-2,3-dihydro-1H-indol-7-yl)methanone

C16H14FNO — CID 10244079

IUPAC(2-fluorophenyl)-(2-methyl-2,3-dihydro-1H-indol-7-yl)methanone
SMILESCC1Cc2cccc(C(=O)c3ccccc3F)c2N1
InChIInChI=1S/C16H14FNO/c1-10-9-11-5-4-7-13(15(11)18-10)16(19)12-6-2-3-8-14(12)17/h2-8,10,18H,9H2,1H3
InChIKeyPAFUEXNGRMXAEI-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.41
Rot. Bonds2

About (2-fluorophenyl)-(2-methyl-2,3-dihydro-1H-indol-7-yl)methanone

(2-fluorophenyl)-(2-methyl-2,3-dihydro-1H-indol-7-yl)methanone (PubChem CID 10244079) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is (2-fluorophenyl)-(2-methyl-2,3-dihydro-1H-indol-7-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(2-methyl-2,3-dihydro-1H-indol-7-yl)methanone
PubChem CID10244079
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name(2-fluorophenyl)-(2-methyl-2,3-dihydro-1H-indol-7-yl)methanone
SMILESCC1Cc2cccc(C(=O)c3ccccc3F)c2N1
InChIInChI=1S/C16H14FNO/c1-10-9-11-5-4-7-13(15(11)18-10)16(19)12-6-2-3-8-14(12)17/h2-8,10,18H,9H2,1H3
InChIKeyPAFUEXNGRMXAEI-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(2-methyl-2,3-dihydro-1H-indol-7-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(2-methyl-2,3-dihydro-1H-indol-7-yl)methanone (CID 10244079) is (2-fluorophenyl)-(2-methyl-2,3-dihydro-1H-indol-7-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(2-methyl-2,3-dihydro-1H-indol-7-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(2-methyl-2,3-dihydro-1H-indol-7-yl)methanone is CC1Cc2cccc(C(=O)c3ccccc3F)c2N1.
What is the InChIKey of (2-fluorophenyl)-(2-methyl-2,3-dihydro-1H-indol-7-yl)methanone?
The InChIKey is PAFUEXNGRMXAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-10-9-11-5-4-7-13(15(11)18-10)16(19)12-6-2-3-8-14(12)17/h2-8,10,18H,9H2,1H3.
What are the key properties of (2-fluorophenyl)-(2-methyl-2,3-dihydro-1H-indol-7-yl)methanone?
(2-fluorophenyl)-(2-methyl-2,3-dihydro-1H-indol-7-yl)methanone has a molecular weight of 255.29 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(2-methyl-2,3-dihydro-1H-indol-7-yl)methanone is sourced from PubChem (CID 10244079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).