2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone

C16H14FNO — CID 17476941

IUPAC2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCc3ccccc32)cc1F
InChIInChI=1S/C16H14FNO/c1-11-6-7-13(10-14(11)17)16(19)18-9-8-12-4-2-3-5-15(12)18/h2-7,10H,8-9H2,1H3
InChIKeyZFPFCCIIVOILDZ-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.34
Rot. Bonds1

About 2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone

2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone (PubChem CID 17476941) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
PubChem CID17476941
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCc3ccccc32)cc1F
InChIInChI=1S/C16H14FNO/c1-11-6-7-13(10-14(11)17)16(19)18-9-8-12-4-2-3-5-15(12)18/h2-7,10H,8-9H2,1H3
InChIKeyZFPFCCIIVOILDZ-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049544
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
3,4-dihydro-2H-quinolin-1-yl-(4-fluoro-3-sulfanylphenyl)methanone
CID 107021556
(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 23120300
(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 675985
N-(3,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049570

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone (CID 17476941) is 2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCc3ccccc32)cc1F.
What is the InChIKey of 2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is ZFPFCCIIVOILDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-11-6-7-13(10-14(11)17)16(19)18-9-8-12-4-2-3-5-15(12)18/h2-7,10H,8-9H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone?
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 255.29 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 17476941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).