N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide

C21H17F3N2O3 — CID 33128215

IUPACN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1OCc1ccncc1
InChIInChI=1S/C21H17F3N2O3/c1-28-18-6-5-17(12-19(18)29-13-14-7-9-25-10-8-14)26-20(27)15-3-2-4-16(11-15)21(22,23)24/h2-12H,13H2,1H3,(H,26,27)
InChIKeyMRLUNHWKFBSABY-UHFFFAOYSA-N
MW402.37 g/mol
LogP4.94
Rot. Bonds6

About N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide

N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 33128215) has the molecular formula C21H17F3N2O3 and a molecular weight of 402.37 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID33128215
Molecular FormulaC21H17F3N2O3
Molecular Weight402.37 g/mol
Exact Mass402.12
IUPAC NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1OCc1ccncc1
InChIInChI=1S/C21H17F3N2O3/c1-28-18-6-5-17(12-19(18)29-13-14-7-9-25-10-8-14)26-20(27)15-3-2-4-16(11-15)21(22,23)24/h2-12H,13H2,1H3,(H,26,27)
InChIKeyMRLUNHWKFBSABY-UHFFFAOYSA-N
XLogP4.94
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427160
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide
CID 55778341
4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273
3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427791
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
3,5-dichloro-4-methoxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46448262
4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5002030
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 38628144
3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4858287
3-[(2-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346822
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 55643488
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 43068293

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide (CID 33128215) is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide is COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1OCc1ccncc1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is MRLUNHWKFBSABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3/c1-28-18-6-5-17(12-19(18)29-13-14-7-9-25-10-8-14)26-20(27)15-3-2-4-16(11-15)21(22,23)24/h2-12H,13H2,1H3,(H,26,27).
What are the key properties of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 402.37 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 33128215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).