3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-propylpropanamide

C14H18FN3O — CID 63291837

IUPAC3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-propylpropanamide
SMILES[H]/N=C1/c2cc(F)ccc2CN1CCC(=O)NCCC
InChIInChI=1S/C14H18FN3O/c1-2-6-17-13(19)5-7-18-9-10-3-4-11(15)8-12(10)14(18)16/h3-4,8,16H,2,5-7,9H2,1H3,(H,17,19)/b16-14-
InChIKeyFXPOOOMMGXODQY-PEZBUJJGSA-N
MW263.32 g/mol
LogP1.88
Rot. Bonds5

About 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-propylpropanamide

3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-propylpropanamide (PubChem CID 63291837) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-propylpropanamide
PubChem CID63291837
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-propylpropanamide
SMILES[H]/N=C1/c2cc(F)ccc2CN1CCC(=O)NCCC
InChIInChI=1S/C14H18FN3O/c1-2-6-17-13(19)5-7-18-9-10-3-4-11(15)8-12(10)14(18)16/h3-4,8,16H,2,5-7,9H2,1H3,(H,17,19)/b16-14-
InChIKeyFXPOOOMMGXODQY-PEZBUJJGSA-N
XLogP1.88
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-propylpropanamide 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

2-butyl-6-fluoro-3H-isoindol-1-imine
CID 63291865
4-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylbutan-1-amine
CID 63291315
6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine
CID 63291648
6-fluoro-2-[(1-methylpiperidin-3-yl)methyl]-3H-isoindol-1-imine
CID 63291570
6-fluoro-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-imine
CID 63291393
4-[(5-fluoro-3-imino-1H-isoindol-2-yl)methyl]-3H-1,3-thiazol-2-one
CID 106381941
6-fluoro-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-3H-isoindol-1-imine
CID 63291446
2-octadecyl-3H-isoindol-1-imine
CID 118268270
2-(3-ethyl-1-methylpyrazol-4-yl)-6-fluoro-3H-isoindol-1-imine
CID 107463466
5-(5-fluoro-3-imino-1H-isoindol-2-yl)-1-methylpiperidin-2-one
CID 64655138
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluoro-3H-isoindol-1-imine
CID 63291528
3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 130269379

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-propylpropanamide?
The IUPAC name of 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-propylpropanamide (CID 63291837) is 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-propylpropanamide?
The canonical SMILES for 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-propylpropanamide is [H]/N=C1/c2cc(F)ccc2CN1CCC(=O)NCCC.
What is the InChIKey of 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-propylpropanamide?
The InChIKey is FXPOOOMMGXODQY-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-2-6-17-13(19)5-7-18-9-10-3-4-11(15)8-12(10)14(18)16/h3-4,8,16H,2,5-7,9H2,1H3,(H,17,19)/b16-14-.
What are the key properties of 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-propylpropanamide?
3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-propylpropanamide has a molecular weight of 263.32 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-propylpropanamide is sourced from PubChem (CID 63291837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).