2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide

C14H18FN3O2 — CID 43255159

IUPAC2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1C(=O)C(N)c2ccc(F)cc21
InChIInChI=1S/C14H18FN3O2/c1-8(2)6-17-12(19)7-18-11-5-9(15)3-4-10(11)13(16)14(18)20/h3-5,8,13H,6-7,16H2,1-2H3,(H,17,19)
InChIKeyZPIPTDQNVJTQRN-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.94
Rot. Bonds4

About 2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide

2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 43255159) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID43255159
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1C(=O)C(N)c2ccc(F)cc21
InChIInChI=1S/C14H18FN3O2/c1-8(2)6-17-12(19)7-18-11-5-9(15)3-4-10(11)13(16)14(18)20/h3-5,8,13H,6-7,16H2,1-2H3,(H,17,19)
InChIKeyZPIPTDQNVJTQRN-UHFFFAOYSA-N
XLogP0.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
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-4-bromo-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide
CID 43255232
3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one
CID 114999710
2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 43254761
2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide
CID 43255280
2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43254745
5-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)pentanenitrile
CID 114996340
3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one
CID 43255106
2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide
CID 43254924
3-amino-6-fluoro-1-(pyridin-4-ylmethyl)-3H-indol-2-one
CID 43255112
2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide
CID 100742567
2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43255271

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide (CID 43255159) is 2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN1C(=O)C(N)c2ccc(F)cc21.
What is the InChIKey of 2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is ZPIPTDQNVJTQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-8(2)6-17-12(19)7-18-11-5-9(15)3-4-10(11)13(16)14(18)20/h3-5,8,13H,6-7,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide?
2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 279.31 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 43255159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).