2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide

C13H19FN2O2 — CID 79054522

IUPAC2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNc1cc(C)cc(F)c1
InChIInChI=1S/C13H19FN2O2/c1-9-4-11(14)6-12(5-9)15-7-13(17)16-10(2)8-18-3/h4-6,10,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyFQVCQWCOOZPHSP-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.70
Rot. Bonds6

About 2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide

2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 79054522) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID79054522
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNc1cc(C)cc(F)c1
InChIInChI=1S/C13H19FN2O2/c1-9-4-11(14)6-12(5-9)15-7-13(17)16-10(2)8-18-3/h4-6,10,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyFQVCQWCOOZPHSP-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-5-methylanilino)propan-2-one
CID 143897845
2-(2-bromo-4-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 54957320
2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 103750652
2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 103238726
2-(5-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 54957373
2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 51252744
2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51728732
2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 80973341
N-(1-methoxypropan-2-yl)-2-(4-propan-2-yloxyanilino)acetamide
CID 61487924
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 60684179
2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 107789246
(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
CID 106932274

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide (CID 79054522) is 2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CNc1cc(C)cc(F)c1.
What is the InChIKey of 2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is FQVCQWCOOZPHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9-4-11(14)6-12(5-9)15-7-13(17)16-10(2)8-18-3/h4-6,10,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide?
2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 254.30 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 79054522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).