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

C23H23FN2O2 — CID 58276651

IUPAC3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(OCCNCCc3cccc(F)c3)cc2)c1
InChIInChI=1S/C23H23FN2O2/c24-21-6-1-3-17(15-21)11-12-26-13-14-28-22-9-7-18(8-10-22)19-4-2-5-20(16-19)23(25)27/h1-10,15-16,26H,11-14H2,(H2,25,27)
InChIKeyKIFVPWAFQNLNIF-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.80
Rot. Bonds9

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

3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide (PubChem CID 58276651) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide.

Molecular Properties

Compound Name3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide
PubChem CID58276651
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(OCCNCCc3cccc(F)c3)cc2)c1
InChIInChI=1S/C23H23FN2O2/c24-21-6-1-3-17(15-21)11-12-26-13-14-28-22-9-7-18(8-10-22)19-4-2-5-20(16-19)23(25)27/h1-10,15-16,26H,11-14H2,(H2,25,27)
InChIKeyKIFVPWAFQNLNIF-UHFFFAOYSA-N
XLogP3.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide
CID 58276289
5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide;hydrochloride
CID 67163111
3-[4-[2-[(3,5-difluorophenyl)methylamino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 143629555
4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide
CID 58276753
4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide
CID 58276440
3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 143629604
2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine
CID 60697587
3-[4-[2-[(4-methylphenyl)methylamino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 162324107
3-[4-(4-phenylbutoxy)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 123258613
3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide
CID 59316398
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
3-[4-[2-(benzylamino)ethyl]phenyl]benzamide
CID 58276622

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide?
The IUPAC name of 3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide (CID 58276651) is 3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide.
What is the SMILES notation for 3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide?
The canonical SMILES for 3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide is NC(=O)c1cccc(-c2ccc(OCCNCCc3cccc(F)c3)cc2)c1.
What is the InChIKey of 3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide?
The InChIKey is KIFVPWAFQNLNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c24-21-6-1-3-17(15-21)11-12-26-13-14-28-22-9-7-18(8-10-22)19-4-2-5-20(16-19)23(25)27/h1-10,15-16,26H,11-14H2,(H2,25,27).
What are the key properties of 3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide?
3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide is sourced from PubChem (CID 58276651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).