2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide

C14H14FN3O — CID 79055306

IUPAC2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide
SMILESCc1cc(F)cc(NC(C(N)=O)c2cccnc2)c1
InChIInChI=1S/C14H14FN3O/c1-9-5-11(15)7-12(6-9)18-13(14(16)19)10-3-2-4-17-8-10/h2-8,13,18H,1H3,(H2,16,19)
InChIKeyJJKOOWUYHWQIEP-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.17
Rot. Bonds4

About 2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide

2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide (PubChem CID 79055306) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide
PubChem CID79055306
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide
SMILESCc1cc(F)cc(NC(C(N)=O)c2cccnc2)c1
InChIInChI=1S/C14H14FN3O/c1-9-5-11(15)7-12(6-9)18-13(14(16)19)10-3-2-4-17-8-10/h2-8,13,18H,1H3,(H2,16,19)
InChIKeyJJKOOWUYHWQIEP-UHFFFAOYSA-N
XLogP2.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-5-methylanilino)-2-(3-hydroxyphenyl)acetamide
CID 79055466
2-(4-methoxyanilino)-2-pyridin-3-ylacetamide
CID 54889099
2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 81431305
2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide
CID 103569831
(2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 97055135
2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid
CID 104822625
2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79044745
2-(3-fluoro-5-methylanilino)-2-(2-methoxyphenyl)acetamide
CID 79044484
2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79583974
2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79041273
2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide
CID 60996177
(2R)-2-(4-fluorophenyl)-2-(4-methylanilino)acetamide
CID 93381369

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide?
The IUPAC name of 2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide (CID 79055306) is 2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide is Cc1cc(F)cc(NC(C(N)=O)c2cccnc2)c1.
What is the InChIKey of 2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide?
The InChIKey is JJKOOWUYHWQIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-9-5-11(15)7-12(6-9)18-13(14(16)19)10-3-2-4-17-8-10/h2-8,13,18H,1H3,(H2,16,19).
What are the key properties of 2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide?
2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide has a molecular weight of 259.28 g/mol, XLogP of 2.17, 4 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)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 79055306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).