N-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide

C14H13FN2O — CID 118945921

IUPACN-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(F)cc2C)cn1
InChIInChI=1S/C14H13FN2O/c1-9-7-12(15)4-5-13(9)11-3-6-14(16-8-11)17-10(2)18/h3-8H,1-2H3,(H,16,17,18)
InChIKeyLEPLFJOYJNFULN-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.15
Rot. Bonds2

About N-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide

N-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide (PubChem CID 118945921) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is N-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide
PubChem CID118945921
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC NameN-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(F)cc2C)cn1
InChIInChI=1S/C14H13FN2O/c1-9-7-12(15)4-5-13(9)11-3-6-14(16-8-11)17-10(2)18/h3-8H,1-2H3,(H,16,17,18)
InChIKeyLEPLFJOYJNFULN-UHFFFAOYSA-N
XLogP3.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide (CID 118945921) is N-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2ccc(F)cc2C)cn1.
What is the InChIKey of N-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide?
The InChIKey is LEPLFJOYJNFULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-9-7-12(15)4-5-13(9)11-3-6-14(16-8-11)17-10(2)18/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of N-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide?
N-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide has a molecular weight of 244.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 118945921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).