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

C21H21FN2O4 — CID 18200816

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]butanamide
SMILESCOc1ccc(C(C)NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1F
InChIInChI=1S/C21H21FN2O4/c1-13(14-9-10-18(28-2)17(22)12-14)23-19(25)8-5-11-24-20(26)15-6-3-4-7-16(15)21(24)27/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,23,25)
InChIKeySJTMDSMORPBVGH-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.09
Rot. Bonds7

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

4-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]butanamide (PubChem CID 18200816) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]butanamide
PubChem CID18200816
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]butanamide
SMILESCOc1ccc(C(C)NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1F
InChIInChI=1S/C21H21FN2O4/c1-13(14-9-10-18(28-2)17(22)12-14)23-19(25)8-5-11-24-20(26)15-6-3-4-7-16(15)21(24)27/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,23,25)
InChIKeySJTMDSMORPBVGH-UHFFFAOYSA-N
XLogP3.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]butanamide (CID 18200816) is 4-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]butanamide is COc1ccc(C(C)NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1F.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]butanamide?
The InChIKey is SJTMDSMORPBVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-13(14-9-10-18(28-2)17(22)12-14)23-19(25)8-5-11-24-20(26)15-6-3-4-7-16(15)21(24)27/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,23,25).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]butanamide has a molecular weight of 384.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 18200816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).