2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide

C13H19FN2O2 — CID 43380767

IUPAC2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccc(OC)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-4-7-15-13(17)9(2)16-10-5-6-12(18-3)11(14)8-10/h5-6,8-9,16H,4,7H2,1-3H3,(H,15,17)
InChIKeyNYPAOUMCVPPCNP-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.16
Rot. Bonds6

About 2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide

2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide (PubChem CID 43380767) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide
PubChem CID43380767
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccc(OC)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-4-7-15-13(17)9(2)16-10-5-6-12(18-3)11(14)8-10/h5-6,8-9,16H,4,7H2,1-3H3,(H,15,17)
InChIKeyNYPAOUMCVPPCNP-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide
CID 43380763
N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide
CID 43380765
2-(4-bromo-3-fluoroanilino)-N-propylpropanamide
CID 65437335
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
2-(3-chloro-4-methoxyanilino)-N-pentylpropanamide
CID 43113186
2-(3-bromo-4-methoxyanilino)-N-pentylpropanamide
CID 63996831
2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide
CID 113399730
2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43087306
2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide
CID 114839350
N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxy-3-methylanilino)propanamide
CID 87033327
2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 65437332
2-(3-fluoro-4-methoxyanilino)-1-morpholin-4-ylpropan-1-one
CID 43380769

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide?
The IUPAC name of 2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide (CID 43380767) is 2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide is CCCNC(=O)C(C)Nc1ccc(OC)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide?
The InChIKey is NYPAOUMCVPPCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-4-7-15-13(17)9(2)16-10-5-6-12(18-3)11(14)8-10/h5-6,8-9,16H,4,7H2,1-3H3,(H,15,17).
What are the key properties of 2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide?
2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide has a molecular weight of 254.30 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide is sourced from PubChem (CID 43380767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).