N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide

C22H19F3N2O4 — CID 38628144

IUPACN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(OCC(F)(F)F)cc2)cc1OCc1cccnc1
InChIInChI=1S/C22H19F3N2O4/c1-29-19-9-6-17(11-20(19)30-13-15-3-2-10-26-12-15)27-21(28)16-4-7-18(8-5-16)31-14-22(23,24)25/h2-12H,13-14H2,1H3,(H,27,28)
InChIKeyAIBNQXIVFVDXCW-UHFFFAOYSA-N
MW432.40 g/mol
LogP4.86
Rot. Bonds8

About N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 38628144) has the molecular formula C22H19F3N2O4 and a molecular weight of 432.40 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
PubChem CID38628144
Molecular FormulaC22H19F3N2O4
Molecular Weight432.40 g/mol
Exact Mass432.13
IUPAC NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(OCC(F)(F)F)cc2)cc1OCc1cccnc1
InChIInChI=1S/C22H19F3N2O4/c1-29-19-9-6-17(11-20(19)30-13-15-3-2-10-26-12-15)27-21(28)16-4-7-18(8-5-16)31-14-22(23,24)25/h2-12H,13-14H2,1H3,(H,27,28)
InChIKeyAIBNQXIVFVDXCW-UHFFFAOYSA-N
XLogP4.86
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide
CID 55645199
N-(3-fluoro-4-methoxyphenyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55796689
2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 55643410
2-(2,4-dimethoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 43069801
3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide
CID 43069846
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 43069792
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38627115
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide
CID 42958626
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 33128215
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39300329
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43069771

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide (CID 38628144) is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide is COc1ccc(NC(=O)c2ccc(OCC(F)(F)F)cc2)cc1OCc1cccnc1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is AIBNQXIVFVDXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O4/c1-29-19-9-6-17(11-20(19)30-13-15-3-2-10-26-12-15)27-21(28)16-4-7-18(8-5-16)31-14-22(23,24)25/h2-12H,13-14H2,1H3,(H,27,28).
What are the key properties of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide?
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 432.40 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 38628144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).