3-(2-fluoro-5-formamidophenyl)-N-methylpropanamide

C11H13FN2O2 — CID 143980499

IUPAC3-(2-fluoro-5-formamidophenyl)-N-methylpropanamide
SMILESCNC(=O)CCc1cc(NC=O)ccc1F
InChIInChI=1S/C11H13FN2O2/c1-13-11(16)5-2-8-6-9(14-7-15)3-4-10(8)12/h3-4,6-7H,2,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyGBNSGFRDPQMLTE-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.07
Rot. Bonds5

About 3-(2-fluoro-5-formamidophenyl)-N-methylpropanamide

3-(2-fluoro-5-formamidophenyl)-N-methylpropanamide (PubChem CID 143980499) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 3-(2-fluoro-5-formamidophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-fluoro-5-formamidophenyl)-N-methylpropanamide
PubChem CID143980499
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name3-(2-fluoro-5-formamidophenyl)-N-methylpropanamide
SMILESCNC(=O)CCc1cc(NC=O)ccc1F
InChIInChI=1S/C11H13FN2O2/c1-13-11(16)5-2-8-6-9(14-7-15)3-4-10(8)12/h3-4,6-7H,2,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyGBNSGFRDPQMLTE-UHFFFAOYSA-N
XLogP1.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-3-fluorophenyl)-N-methylpropanamide
CID 71030233
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
3-(5-bromo-2-fluorophenyl)-N'-methylpropanehydrazide
CID 116846409
N-[4-fluoro-3-[3-(methylamino)-3-oxopropyl]phenyl]-5-(triazol-1-yl)pyrazine-2-carboxamide
CID 143980590
2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide
CID 143980464
tert-butyl 2-[4-[(2-fluoro-5-formamidophenyl)methyl]piperazin-1-yl]acetate
CID 118427894
4-[4-fluoro-3-(trifluoromethyl)anilino]-N-methylbutanamide
CID 63891626
3-(4-chloroanilino)-N-methylpropanamide
CID 10899951
3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780708
3-(3-fluoro-4-methylanilino)-N-methylpropanamide
CID 62325316
3-(2,5-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 110922795
tert-butyl 2-fluoro-5-formamidobenzoate
CID 168651707

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-formamidophenyl)-N-methylpropanamide?
The IUPAC name of 3-(2-fluoro-5-formamidophenyl)-N-methylpropanamide (CID 143980499) is 3-(2-fluoro-5-formamidophenyl)-N-methylpropanamide.
What is the SMILES notation for 3-(2-fluoro-5-formamidophenyl)-N-methylpropanamide?
The canonical SMILES for 3-(2-fluoro-5-formamidophenyl)-N-methylpropanamide is CNC(=O)CCc1cc(NC=O)ccc1F.
What is the InChIKey of 3-(2-fluoro-5-formamidophenyl)-N-methylpropanamide?
The InChIKey is GBNSGFRDPQMLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-13-11(16)5-2-8-6-9(14-7-15)3-4-10(8)12/h3-4,6-7H,2,5H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-(2-fluoro-5-formamidophenyl)-N-methylpropanamide?
3-(2-fluoro-5-formamidophenyl)-N-methylpropanamide has a molecular weight of 224.24 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-formamidophenyl)-N-methylpropanamide is sourced from PubChem (CID 143980499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).