N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide

C24H19FN2O4 — CID 4282369

IUPACN-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide
SMILESCCOc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1F
InChIInChI=1S/C24H19FN2O4/c1-2-31-21-14-8-7-13-20(21)26(24(30)18-11-5-6-12-19(18)25)15-27-22(28)16-9-3-4-10-17(16)23(27)29/h3-14H,2,15H2,1H3
InChIKeyIMSOBKZITLDAQT-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.12
Rot. Bonds6

About N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide

N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide (PubChem CID 4282369) has the molecular formula C24H19FN2O4 and a molecular weight of 418.42 g/mol. Its IUPAC name is N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide
PubChem CID4282369
Molecular FormulaC24H19FN2O4
Molecular Weight418.42 g/mol
Exact Mass418.13
IUPAC NameN-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide
SMILESCCOc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1F
InChIInChI=1S/C24H19FN2O4/c1-2-31-21-14-8-7-13-20(21)26(24(30)18-11-5-6-12-19(18)25)15-27-22(28)16-9-3-4-10-17(16)23(27)29/h3-14H,2,15H2,1H3
InChIKeyIMSOBKZITLDAQT-UHFFFAOYSA-N
XLogP4.12
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide
CID 4262657
N-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide
CID 2332485
2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide
CID 2326703
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(2-ethoxyphenyl)-3,5-dinitrobenzamide
CID 3377075
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)decanamide
CID 3419437
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide
CID 4682355
(1,3-dioxoisoindol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807779
ethyl 4-[(2-chlorobenzoyl)-[(1,3-dioxoisoindol-2-yl)methyl]amino]benzoate
CID 3959049
N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide
CID 2296999
2-ethoxy-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592425
2,4-dichloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-iodophenyl)benzamide
CID 124544627
2-ethoxybenzenecarboperoxoic acid
CID 22314606

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide?
The IUPAC name of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide (CID 4282369) is N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide.
What is the SMILES notation for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide?
The canonical SMILES for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide is CCOc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1F.
What is the InChIKey of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide?
The InChIKey is IMSOBKZITLDAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O4/c1-2-31-21-14-8-7-13-20(21)26(24(30)18-11-5-6-12-19(18)25)15-27-22(28)16-9-3-4-10-17(16)23(27)29/h3-14H,2,15H2,1H3.
What are the key properties of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide?
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide has a molecular weight of 418.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide is sourced from PubChem (CID 4282369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).