N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide

C21H17F3N2O2 — CID 46469686

IUPACN-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H17F3N2O2/c22-21(23,24)18-8-6-17(7-9-18)20(27)26-13-16-10-11-25-19(12-16)28-14-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,26,27)
InChIKeyMXBKVXKBEXFQLP-UHFFFAOYSA-N
MW386.37 g/mol
LogP4.61
Rot. Bonds6

About N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide

N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 46469686) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID46469686
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC NameN-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H17F3N2O2/c22-21(23,24)18-8-6-17(7-9-18)20(27)26-13-16-10-11-25-19(12-16)28-14-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,26,27)
InChIKeyMXBKVXKBEXFQLP-UHFFFAOYSA-N
XLogP4.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide (CID 46469686) is N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide is O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is MXBKVXKBEXFQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c22-21(23,24)18-8-6-17(7-9-18)20(27)26-13-16-10-11-25-19(12-16)28-14-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,26,27).
What are the key properties of N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide?
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 386.37 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 46469686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).