2-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide

C24H19FN2O3 — CID 9368430

IUPAC2-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O
InChIInChI=1S/C24H19FN2O3/c1-15-5-3-4-6-17(15)14-26(2)22(28)16-7-12-20-21(13-16)24(30)27(23(20)29)19-10-8-18(25)9-11-19/h3-13H,14H2,1-2H3
InChIKeyHKKGGRUYYJIJSI-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.21
Rot. Bonds4

About 2-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide

2-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 9368430) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID9368430
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name2-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O
InChIInChI=1S/C24H19FN2O3/c1-15-5-3-4-6-17(15)14-26(2)22(28)16-7-12-20-21(13-16)24(30)27(23(20)29)19-10-8-18(25)9-11-19/h3-13H,14H2,1-2H3
InChIKeyHKKGGRUYYJIJSI-UHFFFAOYSA-N
XLogP4.21
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 63213046
N-(2-ethylphenyl)-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1329424
2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 8643091
5-(4-fluorobenzoyl)-2-[4-[5-(4-fluorobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 102076477
N,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 56817769
2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 146122876
4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099
4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103829572
3-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60636386
benzyl 2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 7359783
2-(4-ethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 31799385
N,2,4-trimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028537

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide (CID 9368430) is 2-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide is Cc1ccccc1CN(C)C(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is HKKGGRUYYJIJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-15-5-3-4-6-17(15)14-26(2)22(28)16-7-12-20-21(13-16)24(30)27(23(20)29)19-10-8-18(25)9-11-19/h3-13H,14H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
2-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 9368430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).