4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide

C22H21FN2O2 — CID 58276753

IUPAC4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide
SMILESNC(=O)c1ccc(-c2cccc(OCCNCc3cccc(F)c3)c2)cc1
InChIInChI=1S/C22H21FN2O2/c23-20-5-1-3-16(13-20)15-25-11-12-27-21-6-2-4-19(14-21)17-7-9-18(10-8-17)22(24)26/h1-10,13-14,25H,11-12,15H2,(H2,24,26)
InChIKeyXGTYDEYOAXMQJL-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.76
Rot. Bonds8

About 4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide

4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide (PubChem CID 58276753) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide
PubChem CID58276753
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide
SMILESNC(=O)c1ccc(-c2cccc(OCCNCc3cccc(F)c3)c2)cc1
InChIInChI=1S/C22H21FN2O2/c23-20-5-1-3-16(13-20)15-25-11-12-27-21-6-2-4-19(14-21)17-7-9-18(10-8-17)22(24)26/h1-10,13-14,25H,11-12,15H2,(H2,24,26)
InChIKeyXGTYDEYOAXMQJL-UHFFFAOYSA-N
XLogP3.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide
CID 58276651
3-[4-[2-[(3,5-difluorophenyl)methylamino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 143629555
5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide
CID 58276289
4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide
CID 58276440
5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide;hydrochloride
CID 67163111
4-[3-(2-bromoethoxy)phenyl]benzamide
CID 58276262
N-[(3-fluorophenyl)methyl]-2-(4-nitrophenoxy)ethanamine
CID 61031608
2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine
CID 39360189
2-[2-fluoro-4-[3-fluoro-4-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]phenoxy]-N-[(3-fluorophenyl)methyl]ethanamine
CID 67810816
3-[4-[2-[(4-methylphenyl)methylamino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 162324107
4-[[[3-(3-cyanopropoxy)phenyl]methylamino]methyl]benzamide
CID 119108793
3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide
CID 59316398

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide?
The IUPAC name of 4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide (CID 58276753) is 4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide.
What is the SMILES notation for 4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide?
The canonical SMILES for 4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide is NC(=O)c1ccc(-c2cccc(OCCNCc3cccc(F)c3)c2)cc1.
What is the InChIKey of 4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide?
The InChIKey is XGTYDEYOAXMQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c23-20-5-1-3-16(13-20)15-25-11-12-27-21-6-2-4-19(14-21)17-7-9-18(10-8-17)22(24)26/h1-10,13-14,25H,11-12,15H2,(H2,24,26).
What are the key properties of 4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide?
4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide has a molecular weight of 364.42 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide is sourced from PubChem (CID 58276753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).