N-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide

C15H17FN2O3 — CID 61355002

IUPACN-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide
SMILESCc1cc(F)c2c(c1)C(=O)C(=O)N2CC(=O)NC(C)(C)C
InChIInChI=1S/C15H17FN2O3/c1-8-5-9-12(10(16)6-8)18(14(21)13(9)20)7-11(19)17-15(2,3)4/h5-6H,7H2,1-4H3,(H,17,19)
InChIKeyAHQLHVBGROUQHP-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.58
Rot. Bonds2

About N-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide

N-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide (PubChem CID 61355002) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is N-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide
PubChem CID61355002
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC NameN-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide
SMILESCc1cc(F)c2c(c1)C(=O)C(=O)N2CC(=O)NC(C)(C)C
InChIInChI=1S/C15H17FN2O3/c1-8-5-9-12(10(16)6-8)18(14(21)13(9)20)7-11(19)17-15(2,3)4/h5-6H,7H2,1-4H3,(H,17,19)
InChIKeyAHQLHVBGROUQHP-UHFFFAOYSA-N
XLogP1.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61356957
4-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)-3-methylbut-2-enoic acid
CID 76975057
7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione
CID 62023101
7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072216
7-fluoro-5-methyl-1-[2-(propylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 103072215
1-(2,3-dihydroxypropyl)-7-fluoro-5-methylindole-2,3-dione
CID 82850929
1-(3,3-dimethyl-2-oxobutyl)-5,7-dimethylindole-2,3-dione
CID 62024938
7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione
CID 61388321
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-methyl-2,3-dioxoindol-1-yl)methyl]azanium
CID 9281123
7-fluoro-5-methyl-1-(2-propylsulfonylethyl)indole-2,3-dione
CID 106726077
N-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61485983
N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201500

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide (CID 61355002) is N-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide is Cc1cc(F)c2c(c1)C(=O)C(=O)N2CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide?
The InChIKey is AHQLHVBGROUQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-8-5-9-12(10(16)6-8)18(14(21)13(9)20)7-11(19)17-15(2,3)4/h5-6H,7H2,1-4H3,(H,17,19).
What are the key properties of N-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide?
N-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide has a molecular weight of 292.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide is sourced from PubChem (CID 61355002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).