N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-ethoxybenzamide

C27H24F2N2O4 — CID 2297254

IUPACN-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C27H24F2N2O4/c1-2-35-20-12-9-18(10-13-20)25(32)30(24-14-11-19(28)17-23(24)29)15-5-6-16-31-26(33)21-7-3-4-8-22(21)27(31)34/h3-4,7-14,17H,2,5-6,15-16H2,1H3
InChIKeyQWYFZODZZGGYBO-UHFFFAOYSA-N
MW478.50 g/mol
LogP5.09
Rot. Bonds9

About N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-ethoxybenzamide

N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-ethoxybenzamide (PubChem CID 2297254) has the molecular formula C27H24F2N2O4 and a molecular weight of 478.50 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-ethoxybenzamide
PubChem CID2297254
Molecular FormulaC27H24F2N2O4
Molecular Weight478.50 g/mol
Exact Mass478.17
IUPAC NameN-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C27H24F2N2O4/c1-2-35-20-12-9-18(10-13-20)25(32)30(24-14-11-19(28)17-23(24)29)15-5-6-16-31-26(33)21-7-3-4-8-22(21)27(31)34/h3-4,7-14,17H,2,5-6,15-16H2,1H3
InChIKeyQWYFZODZZGGYBO-UHFFFAOYSA-N
XLogP5.09
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.50
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-ethoxybenzamide?
The IUPAC name of N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-ethoxybenzamide (CID 2297254) is N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-ethoxybenzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-ethoxybenzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-ethoxybenzamide?
The InChIKey is QWYFZODZZGGYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N2O4/c1-2-35-20-12-9-18(10-13-20)25(32)30(24-14-11-19(28)17-23(24)29)15-5-6-16-31-26(33)21-7-3-4-8-22(21)27(31)34/h3-4,7-14,17H,2,5-6,15-16H2,1H3.
What are the key properties of N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-ethoxybenzamide?
N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-ethoxybenzamide has a molecular weight of 478.50 g/mol, XLogP of 5.09, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-ethoxybenzamide is sourced from PubChem (CID 2297254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).