2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide

C15H14ClFN2O2 — CID 115951922

IUPAC2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide
SMILESNCc1cccc(Cl)c1OCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H14ClFN2O2/c16-13-6-1-3-10(8-18)15(13)21-9-14(20)19-12-5-2-4-11(17)7-12/h1-7H,8-9,18H2,(H,19,20)
InChIKeyONCMBICJMODVLY-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.96
Rot. Bonds5

About 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide

2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide (PubChem CID 115951922) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide
PubChem CID115951922
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide
SMILESNCc1cccc(Cl)c1OCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H14ClFN2O2/c16-13-6-1-3-10(8-18)15(13)21-9-14(20)19-12-5-2-4-11(17)7-12/h1-7H,8-9,18H2,(H,19,20)
InChIKeyONCMBICJMODVLY-UHFFFAOYSA-N
XLogP2.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-bromophenyl)acetamide
CID 115951921
N-(2-amino-5-fluorophenyl)-2-(2,6-dichlorophenoxy)acetamide
CID 60801946
2-(2,6-dimethoxyphenoxy)-N-(3-fluorophenyl)acetamide
CID 7612567
[2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732488
2-(2-amino-6-bromo-4-fluorophenoxy)-N-(3-fluorophenyl)acetamide
CID 43379340
N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide
CID 60800025
N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide
CID 16784462
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide
CID 24578666
4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide
CID 7931240
2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide
CID 61389716
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide
CID 115952038
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide
CID 115952056

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide (CID 115951922) is 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide is NCc1cccc(Cl)c1OCC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide?
The InChIKey is ONCMBICJMODVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-13-6-1-3-10(8-18)15(13)21-9-14(20)19-12-5-2-4-11(17)7-12/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide?
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide has a molecular weight of 308.74 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 115951922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).