N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide

C14H15FN2O3 — CID 113201607

IUPACN-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
SMILESCCCCNC(=O)CN1C(=O)c2cccc(F)c2C1=O
InChIInChI=1S/C14H15FN2O3/c1-2-3-7-16-11(18)8-17-13(19)9-5-4-6-10(15)12(9)14(17)20/h4-6H,2-3,7-8H2,1H3,(H,16,18)
InChIKeyVQZPKRVRISHMFK-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.34
Rot. Bonds5

About N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide

N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 113201607) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID113201607
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC NameN-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
SMILESCCCCNC(=O)CN1C(=O)c2cccc(F)c2C1=O
InChIInChI=1S/C14H15FN2O3/c1-2-3-7-16-11(18)8-17-13(19)9-5-4-6-10(15)12(9)14(17)20/h4-6H,2-3,7-8H2,1H3,(H,16,18)
InChIKeyVQZPKRVRISHMFK-UHFFFAOYSA-N
XLogP1.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2704808
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-propylacetamide
CID 113201263
2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid
CID 130161137
2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 113201644
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
N-butyl-3-(4-chloro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202097
2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 113201627
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide
CID 113082354
2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide
CID 113082330
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 113082355
N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201722
N-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide
CID 61485569

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide (CID 113201607) is N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide is CCCCNC(=O)CN1C(=O)c2cccc(F)c2C1=O.
What is the InChIKey of N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is VQZPKRVRISHMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-2-3-7-16-11(18)8-17-13(19)9-5-4-6-10(15)12(9)14(17)20/h4-6H,2-3,7-8H2,1H3,(H,16,18).
What are the key properties of N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 278.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 113201607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).