3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-fluorophenyl)benzamide;hydrochloride

C19H17ClFN3O2 — CID 122516336

IUPAC3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-fluorophenyl)benzamide;hydrochloride
SMILESCl.NCc1ccnc(Oc2cccc(C(=O)Nc3ccc(F)cc3)c2)c1
InChIInChI=1S/C19H16FN3O2.ClH/c20-15-4-6-16(7-5-15)23-19(24)14-2-1-3-17(11-14)25-18-10-13(12-21)8-9-22-18;/h1-11H,12,21H2,(H,23,24);1H
InChIKeyTXTWMOYDDSJLQU-UHFFFAOYSA-N
MW373.82 g/mol
LogP4.15
Rot. Bonds5

About 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-fluorophenyl)benzamide;hydrochloride

3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-fluorophenyl)benzamide;hydrochloride (PubChem CID 122516336) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-fluorophenyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-fluorophenyl)benzamide;hydrochloride
PubChem CID122516336
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Name3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-fluorophenyl)benzamide;hydrochloride
SMILESCl.NCc1ccnc(Oc2cccc(C(=O)Nc3ccc(F)cc3)c2)c1
InChIInChI=1S/C19H16FN3O2.ClH/c20-15-4-6-16(7-5-15)23-19(24)14-2-1-3-17(11-14)25-18-10-13(12-21)8-9-22-18;/h1-11H,12,21H2,(H,23,24);1H
InChIKeyTXTWMOYDDSJLQU-UHFFFAOYSA-N
XLogP4.15
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-fluorophenyl)benzamide;hydrochloride?
The IUPAC name of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-fluorophenyl)benzamide;hydrochloride (CID 122516336) is 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-fluorophenyl)benzamide;hydrochloride.
What is the SMILES notation for 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-fluorophenyl)benzamide;hydrochloride?
The canonical SMILES for 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-fluorophenyl)benzamide;hydrochloride is Cl.NCc1ccnc(Oc2cccc(C(=O)Nc3ccc(F)cc3)c2)c1.
What is the InChIKey of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-fluorophenyl)benzamide;hydrochloride?
The InChIKey is TXTWMOYDDSJLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2.ClH/c20-15-4-6-16(7-5-15)23-19(24)14-2-1-3-17(11-14)25-18-10-13(12-21)8-9-22-18;/h1-11H,12,21H2,(H,23,24);1H.
What are the key properties of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-fluorophenyl)benzamide;hydrochloride?
3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-fluorophenyl)benzamide;hydrochloride has a molecular weight of 373.82 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-fluorophenyl)benzamide;hydrochloride is sourced from PubChem (CID 122516336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).