2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide

C14H14FN3O2 — CID 107594623

IUPAC2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide
SMILESNCc1ccc(OCC(=O)Nc2ccncc2F)cc1
InChIInChI=1S/C14H14FN3O2/c15-12-8-17-6-5-13(12)18-14(19)9-20-11-3-1-10(7-16)2-4-11/h1-6,8H,7,9,16H2,(H,17,18,19)
InChIKeyRYYIMTGERGHDLT-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.70
Rot. Bonds5

About 2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide

2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide (PubChem CID 107594623) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide
PubChem CID107594623
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide
SMILESNCc1ccc(OCC(=O)Nc2ccncc2F)cc1
InChIInChI=1S/C14H14FN3O2/c15-12-8-17-6-5-13(12)18-14(19)9-20-11-3-1-10(7-16)2-4-11/h1-6,8H,7,9,16H2,(H,17,18,19)
InChIKeyRYYIMTGERGHDLT-UHFFFAOYSA-N
XLogP1.70
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide
CID 63667624
N-(3-fluoro-4-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 75482660
N-[4-(aminomethyl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 16782278
N-(3-fluoro-4-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103946349
2-[3-(aminomethyl)phenoxy]-N-(4-chloro-2-fluorophenyl)acetamide
CID 106485201
2-[4-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-yl)acetamide
CID 43539721
2-(4-chlorophenoxy)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826553
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
N-(3-fluoro-4-pyridinyl)-2-(4-methylsulfanylphenyl)acetamide
CID 122132753
2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide
CID 107461981
N-[3-(aminomethyl)phenyl]-2-phenoxyacetamide
CID 16781265
2-[4-(aminomethyl)phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide
CID 43822965

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide (CID 107594623) is 2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide is NCc1ccc(OCC(=O)Nc2ccncc2F)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide?
The InChIKey is RYYIMTGERGHDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-12-8-17-6-5-13(12)18-14(19)9-20-11-3-1-10(7-16)2-4-11/h1-6,8H,7,9,16H2,(H,17,18,19).
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide?
2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide has a molecular weight of 275.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide is sourced from PubChem (CID 107594623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).