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

C15H12FNO — CID 888531

IUPAC2,3-dihydro-1H-indol-7-yl-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1cccc2c1NCC2
InChIInChI=1S/C15H12FNO/c16-12-5-1-4-11(9-12)15(18)13-6-2-3-10-7-8-17-14(10)13/h1-6,9,17H,7-8H2
InChIKeyZBYUEKNAJNMVAP-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.02
Rot. Bonds2

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

2,3-dihydro-1H-indol-7-yl-(3-fluorophenyl)methanone (PubChem CID 888531) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-7-yl-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-7-yl-(3-fluorophenyl)methanone
PubChem CID888531
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name2,3-dihydro-1H-indol-7-yl-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1cccc2c1NCC2
InChIInChI=1S/C15H12FNO/c16-12-5-1-4-11(9-12)15(18)13-6-2-3-10-7-8-17-14(10)13/h1-6,9,17H,7-8H2
InChIKeyZBYUEKNAJNMVAP-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.02
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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Related Compounds

(4-chlorophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone
CID 13408232
2,3-dihydro-1H-indol-7-yl(phenyl)methanone;1H-indol-7-yl(phenyl)methanone
CID 67895766
S-methyl 2,3-dihydro-1H-indole-7-carbothioate
CID 14547561
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
2-(3-fluorobenzoyl)benzaldehyde
CID 175472655
7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457547
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
2-fluoro-3-(3-fluorobenzoyl)benzonitrile
CID 174421745
(3-fluorophenyl)-quinolin-5-ylmethanone
CID 81216607
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154
ethane;7-fluoro-2,3-dihydro-1H-indole
CID 171527172
(3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone
CID 116610705

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-7-yl-(3-fluorophenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-7-yl-(3-fluorophenyl)methanone (CID 888531) is 2,3-dihydro-1H-indol-7-yl-(3-fluorophenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-7-yl-(3-fluorophenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-7-yl-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)c1cccc2c1NCC2.
What is the InChIKey of 2,3-dihydro-1H-indol-7-yl-(3-fluorophenyl)methanone?
The InChIKey is ZBYUEKNAJNMVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c16-12-5-1-4-11(9-12)15(18)13-6-2-3-10-7-8-17-14(10)13/h1-6,9,17H,7-8H2.
What are the key properties of 2,3-dihydro-1H-indol-7-yl-(3-fluorophenyl)methanone?
2,3-dihydro-1H-indol-7-yl-(3-fluorophenyl)methanone has a molecular weight of 241.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-7-yl-(3-fluorophenyl)methanone is sourced from PubChem (CID 888531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).