2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide

C16H19FN2O3 — CID 113082330

IUPAC2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCN1C(=O)c2cccc(F)c2C1=O
InChIInChI=1S/C16H19FN2O3/c1-3-10(4-2)14(20)18-8-9-19-15(21)11-6-5-7-12(17)13(11)16(19)22/h5-7,10H,3-4,8-9H2,1-2H3,(H,18,20)
InChIKeyDSSSEGCFEFNERH-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.97
Rot. Bonds6

About 2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide

2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide (PubChem CID 113082330) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide
PubChem CID113082330
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCN1C(=O)c2cccc(F)c2C1=O
InChIInChI=1S/C16H19FN2O3/c1-3-10(4-2)14(20)18-8-9-19-15(21)11-6-5-7-12(17)13(11)16(19)22/h5-7,10H,3-4,8-9H2,1-2H3,(H,18,20)
InChIKeyDSSSEGCFEFNERH-UHFFFAOYSA-N
XLogP1.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide
CID 113082354
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 113082355
N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201607
2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid
CID 130161137
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108875100
3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113202740
3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide
CID 113202778
N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 113082064
N-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202807
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 113082397
N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethoxybenzamide
CID 113082038
methyl (2R,3R)-2-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]-3-hydroxybutanoate
CID 10040144

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide (CID 113082330) is 2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide is CCC(CC)C(=O)NCCN1C(=O)c2cccc(F)c2C1=O.
What is the InChIKey of 2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide?
The InChIKey is DSSSEGCFEFNERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-3-10(4-2)14(20)18-8-9-19-15(21)11-6-5-7-12(17)13(11)16(19)22/h5-7,10H,3-4,8-9H2,1-2H3,(H,18,20).
What are the key properties of 2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide?
2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide has a molecular weight of 306.34 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide is sourced from PubChem (CID 113082330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).