3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one

C12H13FN2O — CID 96788078

IUPAC3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one
SMILESCc1[nH]c2c(F)cccc2c1C(=O)CCN
InChIInChI=1S/C12H13FN2O/c1-7-11(10(16)5-6-14)8-3-2-4-9(13)12(8)15-7/h2-4,15H,5-6,14H2,1H3
InChIKeyDRDLIGHPAAKIQK-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.15
Rot. Bonds3

About 3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one

3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one (PubChem CID 96788078) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one
PubChem CID96788078
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one
SMILESCc1[nH]c2c(F)cccc2c1C(=O)CCN
InChIInChI=1S/C12H13FN2O/c1-7-11(10(16)5-6-14)8-3-2-4-9(13)12(8)15-7/h2-4,15H,5-6,14H2,1H3
InChIKeyDRDLIGHPAAKIQK-UHFFFAOYSA-N
XLogP2.15
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 65335195
7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide
CID 110851268
(7-fluoro-2-methyl-1H-indol-3-yl)methanamine
CID 65335308
1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one
CID 107431840
7-fluoro-2-methyl-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide
CID 110851915
2-ethyl-7-fluoro-1H-indole-3-carboxylic acid
CID 84674927
ethyl 7-fluoro-3-formyl-1H-indole-2-carboxylate
CID 4580008
2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 96675267
N-(1,3-benzodioxol-5-ylmethyl)-7-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110851704
1-(7-bromo-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone
CID 82502316
1-(2-amino-6-fluorophenyl)butan-1-one
CID 58906429
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one?
The IUPAC name of 3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one (CID 96788078) is 3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one is Cc1[nH]c2c(F)cccc2c1C(=O)CCN.
What is the InChIKey of 3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one?
The InChIKey is DRDLIGHPAAKIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-7-11(10(16)5-6-14)8-3-2-4-9(13)12(8)15-7/h2-4,15H,5-6,14H2,1H3.
What are the key properties of 3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one?
3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one has a molecular weight of 220.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 96788078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).