N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide

C15H15FN2O2 — CID 16784462

IUPACN-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide
SMILESNCc1cccc(NC(=O)COc2cccc(F)c2)c1
InChIInChI=1S/C15H15FN2O2/c16-12-4-2-6-14(8-12)20-10-15(19)18-13-5-1-3-11(7-13)9-17/h1-8H,9-10,17H2,(H,18,19)
InChIKeyUIJYYSDDEQRPHX-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.30
Rot. Bonds5

About N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide

N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide (PubChem CID 16784462) has the molecular formula C15H15FN2O2 and a molecular weight of 274.29 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide
PubChem CID16784462
Molecular FormulaC15H15FN2O2
Molecular Weight274.29 g/mol
Exact Mass274.11
IUPAC NameN-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide
SMILESNCc1cccc(NC(=O)COc2cccc(F)c2)c1
InChIInChI=1S/C15H15FN2O2/c16-12-4-2-6-14(8-12)20-10-15(19)18-13-5-1-3-11(7-13)9-17/h1-8H,9-10,17H2,(H,18,19)
InChIKeyUIJYYSDDEQRPHX-UHFFFAOYSA-N
XLogP2.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-phenoxyacetamide
CID 16781265
N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 16783753
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
2-[3-(aminomethyl)phenoxy]-N-(3-chloro-4-fluorophenyl)acetamide
CID 106485098
N-(3-cyanophenyl)-2-(3-fluorophenoxy)acetamide
CID 2709220
(2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate
CID 8915415
2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 46741579
N-(3,5-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 16545555
4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide
CID 7931240
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2711600

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide (CID 16784462) is N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide is NCc1cccc(NC(=O)COc2cccc(F)c2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide?
The InChIKey is UIJYYSDDEQRPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-12-4-2-6-14(8-12)20-10-15(19)18-13-5-1-3-11(7-13)9-17/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide?
N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide has a molecular weight of 274.29 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 16784462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).