3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzamide

C20H16F3N3O2 — CID 122516837

IUPAC3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzamide
SMILESNCc1cc(Oc2cccc(C(=O)Nc3ccccc3)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)17-9-13(12-24)10-18(26-17)28-16-8-4-5-14(11-16)19(27)25-15-6-2-1-3-7-15/h1-11H,12,24H2,(H,25,27)
InChIKeyHAEQAUJYNHQVHV-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.60
Rot. Bonds5

About 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzamide

3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzamide (PubChem CID 122516837) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzamide
PubChem CID122516837
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzamide
SMILESNCc1cc(Oc2cccc(C(=O)Nc3ccccc3)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)17-9-13(12-24)10-18(26-17)28-16-8-4-5-14(11-16)19(27)25-15-6-2-1-3-7-15/h1-11H,12,24H2,(H,25,27)
InChIKeyHAEQAUJYNHQVHV-UHFFFAOYSA-N
XLogP4.60
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 91735
CID 91735
CID 3294375
CID 3294375
CID 122707126
CID 122707126
CID 122536283
CID 122536283
CID 23396290
CID 23396290
CID 44434931
CID 44434931
CID 89463724
CID 89463724
CID 891858
CID 891858
CID 16295584
CID 16295584
CID 10813043
CID 10813043
CID 10994091
CID 10994091
CID 11247128
CID 11247128

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzamide?
The IUPAC name of 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzamide (CID 122516837) is 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzamide.
What is the SMILES notation for 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzamide?
The canonical SMILES for 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzamide is NCc1cc(Oc2cccc(C(=O)Nc3ccccc3)c2)nc(C(F)(F)F)c1.
What is the InChIKey of 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzamide?
The InChIKey is HAEQAUJYNHQVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)17-9-13(12-24)10-18(26-17)28-16-8-4-5-14(11-16)19(27)25-15-6-2-1-3-7-15/h1-11H,12,24H2,(H,25,27).
What are the key properties of 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzamide?
3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzamide has a molecular weight of 387.36 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzamide is sourced from PubChem (CID 122516837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).