2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide

C14H18FN3O2 — CID 43254745

IUPAC2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CN1C(=O)C(N)c2cc(F)ccc21
InChIInChI=1S/C14H18FN3O2/c1-8(2)17(3)12(19)7-18-11-5-4-9(15)6-10(11)13(16)14(18)20/h4-6,8,13H,7,16H2,1-3H3
InChIKeyLTSMJQJHWZEFJV-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.04
Rot. Bonds3

About 2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide

2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 43254745) has the molecular formula C14H18FN3O2 and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
PubChem CID43254745
Molecular FormulaC14H18FN3O2
Molecular Weight279.32 g/mol
Exact Mass279.14
IUPAC Name2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CN1C(=O)C(N)c2cc(F)ccc21
InChIInChI=1S/C14H18FN3O2/c1-8(2)17(3)12(19)7-18-11-5-4-9(15)6-10(11)13(16)14(18)20/h4-6,8,13H,7,16H2,1-3H3
InChIKeyLTSMJQJHWZEFJV-UHFFFAOYSA-N
XLogP1.04
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43255125
2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43255271
2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 43254761
2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide
CID 43255081
3-amino-5-fluoro-1-octyl-3H-indol-2-one
CID 43254783
3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride
CID 71432564
2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide
CID 43255159
2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide
CID 43254924
2-[5-fluoro-3-(4-fluorophenyl)-2-oxo-3H-indol-1-yl]acetamide
CID 178005107
(3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one
CID 51441524
(3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one
CID 99644340
3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one
CID 114999710

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide (CID 43254745) is 2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CN1C(=O)C(N)c2cc(F)ccc21.
What is the InChIKey of 2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is LTSMJQJHWZEFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-8(2)17(3)12(19)7-18-11-5-4-9(15)6-10(11)13(16)14(18)20/h4-6,8,13H,7,16H2,1-3H3.
What are the key properties of 2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide?
2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 279.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 43254745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).