3-amino-4-[(3-fluorophenoxy)methyl]benzamide

C14H13FN2O2 — CID 43376530

IUPAC3-amino-4-[(3-fluorophenoxy)methyl]benzamide
SMILESNC(=O)c1ccc(COc2cccc(F)c2)c(N)c1
InChIInChI=1S/C14H13FN2O2/c15-11-2-1-3-12(7-11)19-8-10-5-4-9(14(17)18)6-13(10)16/h1-7H,8,16H2,(H2,17,18)
InChIKeyDBFQHDVQWAWACI-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.09
Rot. Bonds4

About 3-amino-4-[(3-fluorophenoxy)methyl]benzamide

3-amino-4-[(3-fluorophenoxy)methyl]benzamide (PubChem CID 43376530) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-amino-4-[(3-fluorophenoxy)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(3-fluorophenoxy)methyl]benzamide
PubChem CID43376530
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name3-amino-4-[(3-fluorophenoxy)methyl]benzamide
SMILESNC(=O)c1ccc(COc2cccc(F)c2)c(N)c1
InChIInChI=1S/C14H13FN2O2/c15-11-2-1-3-12(7-11)19-8-10-5-4-9(14(17)18)6-13(10)16/h1-7H,8,16H2,(H2,17,18)
InChIKeyDBFQHDVQWAWACI-UHFFFAOYSA-N
XLogP2.09
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114486229
3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 43376384
5-amino-2-[(3-fluorophenoxy)methyl]phenol
CID 117219630
3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide
CID 43376930
3-amino-4-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 43376404
3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide
CID 107708557
3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide
CID 102774327
3-chloro-4-[(3-fluorophenoxy)methyl]benzenecarbothioamide
CID 102666491
2-[(3-ethoxyphenoxy)methyl]-5-fluoroaniline
CID 64768838
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline
CID 64769606
4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide
CID 62111611

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(3-fluorophenoxy)methyl]benzamide?
The IUPAC name of 3-amino-4-[(3-fluorophenoxy)methyl]benzamide (CID 43376530) is 3-amino-4-[(3-fluorophenoxy)methyl]benzamide.
What is the SMILES notation for 3-amino-4-[(3-fluorophenoxy)methyl]benzamide?
The canonical SMILES for 3-amino-4-[(3-fluorophenoxy)methyl]benzamide is NC(=O)c1ccc(COc2cccc(F)c2)c(N)c1.
What is the InChIKey of 3-amino-4-[(3-fluorophenoxy)methyl]benzamide?
The InChIKey is DBFQHDVQWAWACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-11-2-1-3-12(7-11)19-8-10-5-4-9(14(17)18)6-13(10)16/h1-7H,8,16H2,(H2,17,18).
What are the key properties of 3-amino-4-[(3-fluorophenoxy)methyl]benzamide?
3-amino-4-[(3-fluorophenoxy)methyl]benzamide has a molecular weight of 260.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(3-fluorophenoxy)methyl]benzamide is sourced from PubChem (CID 43376530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).