2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide

C14H16FN3O2 — CID 43254761

IUPAC2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide
SMILESNC1C(=O)N(CC(=O)NCC2CC2)c2ccc(F)cc21
InChIInChI=1S/C14H16FN3O2/c15-9-3-4-11-10(5-9)13(16)14(20)18(11)7-12(19)17-6-8-1-2-8/h3-5,8,13H,1-2,6-7,16H2,(H,17,19)
InChIKeyFQMJNWDMWXVNNA-UHFFFAOYSA-N
MW277.30 g/mol
LogP0.70
Rot. Bonds4

About 2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide

2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide (PubChem CID 43254761) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide
PubChem CID43254761
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide
SMILESNC1C(=O)N(CC(=O)NCC2CC2)c2ccc(F)cc21
InChIInChI=1S/C14H16FN3O2/c15-9-3-4-11-10(5-9)13(16)14(20)18(11)7-12(19)17-6-8-1-2-8/h3-5,8,13H,1-2,6-7,16H2,(H,17,19)
InChIKeyFQMJNWDMWXVNNA-UHFFFAOYSA-N
XLogP0.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43254745
2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide
CID 43255159
3-amino-5-fluoro-1-octyl-3H-indol-2-one
CID 43254783
2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-(cyclopropylmethyl)acetamide
CID 43446555
3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride
CID 71432564
2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide
CID 43254827
N-(cyclopropylmethyl)-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 33458916
2-(3-amino-5-nitro-2-oxo-3H-indol-1-yl)-N-propylacetamide
CID 43254947
2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide
CID 43254924
2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43255125
(3R)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one
CID 51441516
(3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one
CID 98081143

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide (CID 43254761) is 2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide is NC1C(=O)N(CC(=O)NCC2CC2)c2ccc(F)cc21.
What is the InChIKey of 2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide?
The InChIKey is FQMJNWDMWXVNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c15-9-3-4-11-10(5-9)13(16)14(20)18(11)7-12(19)17-6-8-1-2-8/h3-5,8,13H,1-2,6-7,16H2,(H,17,19).
What are the key properties of 2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide?
2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide has a molecular weight of 277.30 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 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-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 43254761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).