(5-amino-2-fluoro-3-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

C17H17FN2O — CID 103295777

IUPAC(5-amino-2-fluoro-3-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cc(N)cc(C(=O)N2c3ccccc3CC2C)c1F
InChIInChI=1S/C17H17FN2O/c1-10-7-13(19)9-14(16(10)18)17(21)20-11(2)8-12-5-3-4-6-15(12)20/h3-7,9,11H,8,19H2,1-2H3
InChIKeyHCLZLNKTJOEWLY-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.31
Rot. Bonds1

About (5-amino-2-fluoro-3-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

(5-amino-2-fluoro-3-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 103295777) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is (5-amino-2-fluoro-3-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-fluoro-3-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID103295777
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name(5-amino-2-fluoro-3-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cc(N)cc(C(=O)N2c3ccccc3CC2C)c1F
InChIInChI=1S/C17H17FN2O/c1-10-7-13(19)9-14(16(10)18)17(21)20-11(2)8-12-5-3-4-6-15(12)20/h3-7,9,11H,8,19H2,1-2H3
InChIKeyHCLZLNKTJOEWLY-UHFFFAOYSA-N
XLogP3.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-3-fluoro-4-pyridinyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 105384137
(4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62678879
(2,5-dimethylfuran-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 24655561
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone
CID 110863904
(2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 100527033
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
CID 35523959
(2-chloro-5-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 106501267
(4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 61091919
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one
CID 110699372
(2-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19061805

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 103295777) is (5-amino-2-fluoro-3-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (5-amino-2-fluoro-3-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (5-amino-2-fluoro-3-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is Cc1cc(N)cc(C(=O)N2c3ccccc3CC2C)c1F.
What is the InChIKey of (5-amino-2-fluoro-3-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is HCLZLNKTJOEWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-10-7-13(19)9-14(16(10)18)17(21)20-11(2)8-12-5-3-4-6-15(12)20/h3-7,9,11H,8,19H2,1-2H3.
What are the key properties of (5-amino-2-fluoro-3-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
(5-amino-2-fluoro-3-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 284.33 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluoro-3-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 103295777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).