2-[3-(aminomethyl)phenoxy]-N-(4-chloro-2-fluorophenyl)acetamide

C15H14ClFN2O2 — CID 106485201

IUPAC2-[3-(aminomethyl)phenoxy]-N-(4-chloro-2-fluorophenyl)acetamide
SMILESNCc1cccc(OCC(=O)Nc2ccc(Cl)cc2F)c1
InChIInChI=1S/C15H14ClFN2O2/c16-11-4-5-14(13(17)7-11)19-15(20)9-21-12-3-1-2-10(6-12)8-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyODVBSZSAYFHOFX-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.96
Rot. Bonds5

About 2-[3-(aminomethyl)phenoxy]-N-(4-chloro-2-fluorophenyl)acetamide

2-[3-(aminomethyl)phenoxy]-N-(4-chloro-2-fluorophenyl)acetamide (PubChem CID 106485201) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N-(4-chloro-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N-(4-chloro-2-fluorophenyl)acetamide
PubChem CID106485201
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name2-[3-(aminomethyl)phenoxy]-N-(4-chloro-2-fluorophenyl)acetamide
SMILESNCc1cccc(OCC(=O)Nc2ccc(Cl)cc2F)c1
InChIInChI=1S/C15H14ClFN2O2/c16-11-4-5-14(13(17)7-11)19-15(20)9-21-12-3-1-2-10(6-12)8-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyODVBSZSAYFHOFX-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-[3-(aminomethyl)phenoxy]-N-(3-chloro-4-fluorophenyl)acetamide
CID 106485098
2-(3-chlorophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2633081
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792849
N-(2,4-difluorophenyl)-2-(3-ethylphenoxy)acetamide
CID 2711335
2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 46741581
N-(4-chloro-2-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 7961385
N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide
CID 16784462
N-(5-chloro-2-fluorophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112779285
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8590501
N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)acetamide
CID 2707661
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803669
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-(4-chloro-2-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-(4-chloro-2-fluorophenyl)acetamide (CID 106485201) is 2-[3-(aminomethyl)phenoxy]-N-(4-chloro-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N-(4-chloro-2-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N-(4-chloro-2-fluorophenyl)acetamide is NCc1cccc(OCC(=O)Nc2ccc(Cl)cc2F)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N-(4-chloro-2-fluorophenyl)acetamide?
The InChIKey is ODVBSZSAYFHOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-11-4-5-14(13(17)7-11)19-15(20)9-21-12-3-1-2-10(6-12)8-18/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N-(4-chloro-2-fluorophenyl)acetamide?
2-[3-(aminomethyl)phenoxy]-N-(4-chloro-2-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-[3-(aminomethyl)phenoxy]-N-(4-chloro-2-fluorophenyl)acetamide is sourced from PubChem (CID 106485201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).