[acetyl(9H-fluoren-2-yl)amino] acetate

C17H15NO3 — CID 22469

IUPAC[acetyl(9H-fluoren-2-yl)amino] acetate
SMILESCC(=O)ON(C(C)=O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H15NO3/c1-11(19)18(21-12(2)20)15-7-8-17-14(10-15)9-13-5-3-4-6-16(13)17/h3-8,10H,9H2,1-2H3
InChIKeyNFOMHWALMFWNAQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.09
Rot. Bonds1

About [acetyl(9H-fluoren-2-yl)amino] acetate

[acetyl(9H-fluoren-2-yl)amino] acetate (PubChem CID 22469) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is [acetyl(9H-fluoren-2-yl)amino] acetate.

Molecular Properties

Compound Name[acetyl(9H-fluoren-2-yl)amino] acetate
PubChem CID22469
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name[acetyl(9H-fluoren-2-yl)amino] acetate
SMILESCC(=O)ON(C(C)=O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H15NO3/c1-11(19)18(21-12(2)20)15-7-8-17-14(10-15)9-13-5-3-4-6-16(13)17/h3-8,10H,9H2,1-2H3
InChIKeyNFOMHWALMFWNAQ-UHFFFAOYSA-N
XLogP3.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Acetylaminofluorene
CID 5897
Hydroxyacetylaminofluorene
CID 5896
4-Acetylaminofluorene
CID 34210
2-(2,2,2-Trifluoroacetamido)fluorene
CID 9690
N-Hydroxy-4-acetylaminobiphenyl
CID 20527
N,N'-9H-Fluorene-2,7-diylbis(acetamide)
CID 9352
Acetyl-9H-fluoren-2-ylazanyl hydrogen sulfate
CID 28091
1-Acetylaminofluorene
CID 34209
N-(2,3-Dihydro-1H-inden-5-yl)acetamide
CID 583823
N,N'-9H-fluorene-2,7-diylbis(2-methylpropanamide)
CID 946069
N-hydroxy-N-[4-(2-phenylethenyl)phenyl]acetamide
CID 13298
Butyramide, N-(2-fluorenyl)-
CID 43146

Frequently Asked Questions

What is the IUPAC name of [acetyl(9H-fluoren-2-yl)amino] acetate?
The IUPAC name of [acetyl(9H-fluoren-2-yl)amino] acetate (CID 22469) is [acetyl(9H-fluoren-2-yl)amino] acetate.
What is the SMILES notation for [acetyl(9H-fluoren-2-yl)amino] acetate?
The canonical SMILES for [acetyl(9H-fluoren-2-yl)amino] acetate is CC(=O)ON(C(C)=O)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of [acetyl(9H-fluoren-2-yl)amino] acetate?
The InChIKey is NFOMHWALMFWNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11(19)18(21-12(2)20)15-7-8-17-14(10-15)9-13-5-3-4-6-16(13)17/h3-8,10H,9H2,1-2H3.
What are the key properties of [acetyl(9H-fluoren-2-yl)amino] acetate?
[acetyl(9H-fluoren-2-yl)amino] acetate has a molecular weight of 281.31 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyl(9H-fluoren-2-yl)amino] acetate is sourced from PubChem (CID 22469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).