4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide

C23H20F3N3O4 — CID 126669544

IUPAC4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccccc1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C23H20F3N3O4/c1-32-20-11-8-16(23(24,25)26)12-18(20)29-22(31)28-13-15-4-2-3-5-19(15)33-17-9-6-14(7-10-17)21(27)30/h2-12H,13H2,1H3,(H2,27,30)(H2,28,29,31)
InChIKeyWGTOYJYJLPLDDJ-UHFFFAOYSA-N
MW459.42 g/mol
LogP4.93
Rot. Bonds7

About 4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide

4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide (PubChem CID 126669544) has the molecular formula C23H20F3N3O4 and a molecular weight of 459.42 g/mol. Its IUPAC name is 4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide
PubChem CID126669544
Molecular FormulaC23H20F3N3O4
Molecular Weight459.42 g/mol
Exact Mass459.14
IUPAC Name4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccccc1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C23H20F3N3O4/c1-32-20-11-8-16(23(24,25)26)12-18(20)29-22(31)28-13-15-4-2-3-5-19(15)33-17-9-6-14(7-10-17)21(27)30/h2-12H,13H2,1H3,(H2,27,30)(H2,28,29,31)
InChIKeyWGTOYJYJLPLDDJ-UHFFFAOYSA-N
XLogP4.93
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide with MolForge

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Related Compounds

[4-[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]benzoyl]azanium
CID 145268886
4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide
CID 126669737
1-[2-methoxy-5-(trifluoromethoxymethyl)phenyl]-3-[[2-(4-methylphenoxy)phenyl]methyl]urea
CID 135215449
ethane;4-[2-[[[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide
CID 145268881
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
4-[[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide
CID 126669548
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea
CID 3763327
3-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzoic acid
CID 126669353
N-[2-(dimethylamino)ethyl]-4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide
CID 126669725
1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-[[4-[4-(methylamino)butanoyl]phenyl]methoxy]phenyl]methyl]urea
CID 147615367
1-[2-(3,4-diaminophenyl)ethyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea;ethane
CID 143095559
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2713294

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide?
The IUPAC name of 4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide (CID 126669544) is 4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide.
What is the SMILES notation for 4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide?
The canonical SMILES for 4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide is COc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccccc1Oc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide?
The InChIKey is WGTOYJYJLPLDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O4/c1-32-20-11-8-16(23(24,25)26)12-18(20)29-22(31)28-13-15-4-2-3-5-19(15)33-17-9-6-14(7-10-17)21(27)30/h2-12H,13H2,1H3,(H2,27,30)(H2,28,29,31).
What are the key properties of 4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide?
4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide has a molecular weight of 459.42 g/mol, XLogP of 4.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide is sourced from PubChem (CID 126669544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).