N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide

C18H14F2N2O3 — CID 34169021

IUPACN-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C18H14F2N2O3/c19-11-8-12(20)10-13(9-11)21-16(23)6-3-7-22-17(24)14-4-1-2-5-15(14)18(22)25/h1-2,4-5,8-10H,3,6-7H2,(H,21,23)
InChIKeyRRFITOILLAWDDP-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.98
Rot. Bonds5

About N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide

N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 34169021) has the molecular formula C18H14F2N2O3 and a molecular weight of 344.32 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID34169021
Molecular FormulaC18H14F2N2O3
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC NameN-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C18H14F2N2O3/c19-11-8-12(20)10-13(9-11)21-16(23)6-3-7-22-17(24)14-4-1-2-5-15(14)18(22)25/h1-2,4-5,8-10H,3,6-7H2,(H,21,23)
InChIKeyRRFITOILLAWDDP-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.98
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

6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide
CID 5023404
N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2989674
dimethyl 5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzene-1,3-dicarboxylate
CID 2682990
N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2953922
N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 29371362
3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzoic acid
CID 1238428
N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2303121
N-(3-bromo-5-fluoro-2-pyridinyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110495811
N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2204148
4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 108933494
N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide
CID 2598564
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide
CID 110362135

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 34169021) is N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is RRFITOILLAWDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3/c19-11-8-12(20)10-13(9-11)21-16(23)6-3-7-22-17(24)14-4-1-2-5-15(14)18(22)25/h1-2,4-5,8-10H,3,6-7H2,(H,21,23).
What are the key properties of N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 344.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 34169021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).