(4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

C16H15FN2O — CID 62678879

IUPAC(4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C16H15FN2O/c1-10-8-11-4-2-3-5-15(11)19(10)16(20)12-6-7-14(18)13(17)9-12/h2-7,9-10H,8,18H2,1H3
InChIKeyUBLQVTDIYYWURP-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.00
Rot. Bonds1

About (4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

(4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 62678879) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID62678879
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C16H15FN2O/c1-10-8-11-4-2-3-5-15(11)19(10)16(20)12-6-7-14(18)13(17)9-12/h2-7,9-10H,8,18H2,1H3
InChIKeyUBLQVTDIYYWURP-UHFFFAOYSA-N
XLogP3.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.00
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

(3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 46819959
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 92533173
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 93238246
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863
(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 42065881
[4-(methylamino)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62173307
6-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 51648692
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929
[3-(dimethylamino)phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176454
(3-chloro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133184168

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 62678879) is (4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1ccc(N)c(F)c1.
What is the InChIKey of (4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is UBLQVTDIYYWURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-10-8-11-4-2-3-5-15(11)19(10)16(20)12-6-7-14(18)13(17)9-12/h2-7,9-10H,8,18H2,1H3.
What are the key properties of (4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
(4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 270.31 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 62678879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).