N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide

C13H19FN2O2 — CID 71983867

IUPACN-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1cc(F)ccc1NC(C)C
InChIInChI=1S/C13H19FN2O2/c1-8(2)15-11-6-5-10(14)7-12(11)16-13(17)9(3)18-4/h5-9,15H,1-4H3,(H,16,17)
InChIKeyVZKZKUMOFUQWPM-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.62
Rot. Bonds5

About N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide

N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide (PubChem CID 71983867) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide
PubChem CID71983867
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1cc(F)ccc1NC(C)C
InChIInChI=1S/C13H19FN2O2/c1-8(2)15-11-6-5-10(14)7-12(11)16-13(17)9(3)18-4/h5-9,15H,1-4H3,(H,16,17)
InChIKeyVZKZKUMOFUQWPM-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride
CID 119856686
N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119856694
(2S)-2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119856697
2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
CID 119856698
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 53286451
(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 9097735
N-[2-[5-fluoro-2-(propan-2-ylamino)anilino]-2-oxoethyl]-5-hydroxypentanamide
CID 166390651
(2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide
CID 7713955
N-(2,5-difluorophenyl)-2-(2-fluorophenoxy)propanamide
CID 86909512
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834391
dimethyl 5-[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl]oxybenzene-1,3-dicarboxylate
CID 8740568

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide?
The IUPAC name of N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide (CID 71983867) is N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide.
What is the SMILES notation for N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide?
The canonical SMILES for N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide is COC(C)C(=O)Nc1cc(F)ccc1NC(C)C.
What is the InChIKey of N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide?
The InChIKey is VZKZKUMOFUQWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-8(2)15-11-6-5-10(14)7-12(11)16-13(17)9(3)18-4/h5-9,15H,1-4H3,(H,16,17).
What are the key properties of N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide?
N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide has a molecular weight of 254.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide is sourced from PubChem (CID 71983867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).