(4-amino-2,3-dihydroindol-1-yl)-(2-fluoro-6-methoxyphenyl)methanone

C16H15FN2O2 — CID 65434753

IUPAC(4-amino-2,3-dihydroindol-1-yl)-(2-fluoro-6-methoxyphenyl)methanone
SMILESCOc1cccc(F)c1C(=O)N1CCc2c(N)cccc21
InChIInChI=1S/C16H15FN2O2/c1-21-14-7-2-4-11(17)15(14)16(20)19-9-8-10-12(18)5-3-6-13(10)19/h2-7H,8-9,18H2,1H3
InChIKeyYFSIUGGMYNMJIF-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.62
Rot. Bonds2

About (4-amino-2,3-dihydroindol-1-yl)-(2-fluoro-6-methoxyphenyl)methanone

(4-amino-2,3-dihydroindol-1-yl)-(2-fluoro-6-methoxyphenyl)methanone (PubChem CID 65434753) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is (4-amino-2,3-dihydroindol-1-yl)-(2-fluoro-6-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-2,3-dihydroindol-1-yl)-(2-fluoro-6-methoxyphenyl)methanone
PubChem CID65434753
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name(4-amino-2,3-dihydroindol-1-yl)-(2-fluoro-6-methoxyphenyl)methanone
SMILESCOc1cccc(F)c1C(=O)N1CCc2c(N)cccc21
InChIInChI=1S/C16H15FN2O2/c1-21-14-7-2-4-11(17)15(14)16(20)19-9-8-10-12(18)5-3-6-13(10)19/h2-7H,8-9,18H2,1H3
InChIKeyYFSIUGGMYNMJIF-UHFFFAOYSA-N
XLogP2.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115368569
(2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81393898
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
(4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 107013248
(2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 129494804
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone
CID 83210072
(2-fluoro-6-methoxyphenyl)-morpholin-4-ylmethanone
CID 65432492
[4-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 65433856
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dichlorophenyl)methanone
CID 82744828
1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone
CID 165447827
(4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 80662755

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(2-fluoro-6-methoxyphenyl)methanone?
The IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(2-fluoro-6-methoxyphenyl)methanone (CID 65434753) is (4-amino-2,3-dihydroindol-1-yl)-(2-fluoro-6-methoxyphenyl)methanone.
What is the SMILES notation for (4-amino-2,3-dihydroindol-1-yl)-(2-fluoro-6-methoxyphenyl)methanone?
The canonical SMILES for (4-amino-2,3-dihydroindol-1-yl)-(2-fluoro-6-methoxyphenyl)methanone is COc1cccc(F)c1C(=O)N1CCc2c(N)cccc21.
What is the InChIKey of (4-amino-2,3-dihydroindol-1-yl)-(2-fluoro-6-methoxyphenyl)methanone?
The InChIKey is YFSIUGGMYNMJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-21-14-7-2-4-11(17)15(14)16(20)19-9-8-10-12(18)5-3-6-13(10)19/h2-7H,8-9,18H2,1H3.
What are the key properties of (4-amino-2,3-dihydroindol-1-yl)-(2-fluoro-6-methoxyphenyl)methanone?
(4-amino-2,3-dihydroindol-1-yl)-(2-fluoro-6-methoxyphenyl)methanone has a molecular weight of 286.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,3-dihydroindol-1-yl)-(2-fluoro-6-methoxyphenyl)methanone is sourced from PubChem (CID 65434753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).