N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide

C20H16FN3O5 — CID 9490950

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C20H16FN3O5/c21-17-4-2-1-3-12(17)10-22(13-5-6-13)18(25)11-23-19(26)15-8-7-14(24(28)29)9-16(15)20(23)27/h1-4,7-9,13H,5-6,10-11H2
InChIKeyJBJPGZNNOPRDMC-UHFFFAOYSA-N
MW397.36 g/mol
LogP2.52
Rot. Bonds6

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 9490950) has the molecular formula C20H16FN3O5 and a molecular weight of 397.36 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID9490950
Molecular FormulaC20H16FN3O5
Molecular Weight397.36 g/mol
Exact Mass397.11
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C20H16FN3O5/c21-17-4-2-1-3-12(17)10-22(13-5-6-13)18(25)11-23-19(26)15-8-7-14(24(28)29)9-16(15)20(23)27/h1-4,7-9,13H,5-6,10-11H2
InChIKeyJBJPGZNNOPRDMC-UHFFFAOYSA-N
XLogP2.52
TPSA100.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-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

Related Compounds

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 24675695
2-(2-chloro-4-nitrophenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
CID 8587517
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 41476427
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-amino-4-nitrobenzoate
CID 8808704
2-(cyclopropylmethyl)-5-nitroisoindole-1,3-dione
CID 22502087
2-(5-nitro-1,3-dioxoisoindol-2-yl)acetate
CID 3712827
2-fluoro-N-[2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]benzamide
CID 108538248
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[methyl-[(1S)-1-(3-nitrophenyl)ethyl]amino]acetamide
CID 92514415
2-butyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 24549311
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate
CID 18103051
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 31443327
2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-nitroisoindole-1,3-dione
CID 2706933

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide (CID 9490950) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide is O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC(=O)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is JBJPGZNNOPRDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O5/c21-17-4-2-1-3-12(17)10-22(13-5-6-13)18(25)11-23-19(26)15-8-7-14(24(28)29)9-16(15)20(23)27/h1-4,7-9,13H,5-6,10-11H2.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 397.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 9490950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).