N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C21H19FN2O2 — CID 24675695

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C21H19FN2O2/c1-14-17-7-3-4-8-18(17)21(26)23(14)13-20(25)24(16-10-11-16)12-15-6-2-5-9-19(15)22/h2-9,16H,1,10-13H2
InChIKeyNXPXEKMUCVSHJZ-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.44
Rot. Bonds5

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 24675695) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID24675695
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C21H19FN2O2/c1-14-17-7-3-4-8-18(17)21(26)23(14)13-20(25)24(16-10-11-16)12-15-6-2-5-9-19(15)22/h2-9,16H,1,10-13H2
InChIKeyNXPXEKMUCVSHJZ-UHFFFAOYSA-N
XLogP3.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 24675695) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is NXPXEKMUCVSHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-14-17-7-3-4-8-18(17)21(26)23(14)13-20(25)24(16-10-11-16)12-15-6-2-5-9-19(15)22/h2-9,16H,1,10-13H2.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 350.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 24675695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).