2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide

C15H14ClFN2O2 — CID 107686288

IUPAC2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide
SMILESNCc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C15H14ClFN2O2/c16-11-2-4-12(5-3-11)19-15(20)9-21-14-6-1-10(8-18)7-13(14)17/h1-7H,8-9,18H2,(H,19,20)
InChIKeyIBXUKZCINWLQLT-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.96
Rot. Bonds5

About 2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide

2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide (PubChem CID 107686288) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide
PubChem CID107686288
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide
SMILESNCc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C15H14ClFN2O2/c16-11-2-4-12(5-3-11)19-15(20)9-21-14-6-1-10(8-18)7-13(14)17/h1-7H,8-9,18H2,(H,19,20)
InChIKeyIBXUKZCINWLQLT-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-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide
CID 107686235
N-(3-chlorophenyl)-2-[2-fluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 107690723
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
methyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate
CID 75452408
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 107686457
2-[3-(aminomethyl)phenoxy]-N-(3-chloro-4-fluorophenyl)acetamide
CID 106485098
2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide
CID 107655851
2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7721430
N-(3-chlorophenyl)-2-(2,4-difluorophenoxy)acetamide
CID 17173171
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide
CID 107665283
N-[4-(aminomethyl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 16782278
N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29036010

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide (CID 107686288) is 2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide is NCc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide?
The InChIKey is IBXUKZCINWLQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-11-2-4-12(5-3-11)19-15(20)9-21-14-6-1-10(8-18)7-13(14)17/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide?
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)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-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 107686288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).