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

C24H22F3N3O5 — CID 126669737

IUPAC4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide
SMILESCOc1ccc(OC(F)(F)F)cc1NC(=O)NCc1ccccc1OCc1ccc(C(N)=O)cc1
InChIInChI=1S/C24H22F3N3O5/c1-33-21-11-10-18(35-24(25,26)27)12-19(21)30-23(32)29-13-17-4-2-3-5-20(17)34-14-15-6-8-16(9-7-15)22(28)31/h2-12H,13-14H2,1H3,(H2,28,31)(H2,29,30,32)
InChIKeyIQGPBWGMTLAMJJ-UHFFFAOYSA-N
MW489.45 g/mol
LogP4.59
Rot. Bonds9

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

4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide (PubChem CID 126669737) has the molecular formula C24H22F3N3O5 and a molecular weight of 489.45 g/mol. Its IUPAC name is 4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide
PubChem CID126669737
Molecular FormulaC24H22F3N3O5
Molecular Weight489.45 g/mol
Exact Mass489.15
IUPAC Name4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide
SMILESCOc1ccc(OC(F)(F)F)cc1NC(=O)NCc1ccccc1OCc1ccc(C(N)=O)cc1
InChIInChI=1S/C24H22F3N3O5/c1-33-21-11-10-18(35-24(25,26)27)12-19(21)30-23(32)29-13-17-4-2-3-5-20(17)34-14-15-6-8-16(9-7-15)22(28)31/h2-12H,13-14H2,1H3,(H2,28,31)(H2,29,30,32)
InChIKeyIQGPBWGMTLAMJJ-UHFFFAOYSA-N
XLogP4.59
TPSA111.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-[[4-[4-(methylamino)butanoyl]phenyl]methoxy]phenyl]methyl]urea
CID 147615367
N-[2-(dimethylamino)ethyl]-4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide
CID 126669725
3-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzoic acid
CID 126669353
1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]urea
CID 126669515
[4-[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]benzoyl]azanium
CID 145268886
4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide
CID 126669544
4-[[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide
CID 126669548
1-[2-methoxy-5-(trifluoromethoxymethyl)phenyl]-3-[[2-(4-methylphenoxy)phenyl]methyl]urea
CID 135215449
1-[2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]-3-[[2-(pyridin-4-ylmethoxy)phenyl]methyl]urea
CID 126669722
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
1-[(2,3-dimethoxyphenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55816924
4-methoxy-3-phenylmethoxybenzamide
CID 22467475

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide?
The IUPAC name of 4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide (CID 126669737) is 4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide.
What is the SMILES notation for 4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide?
The canonical SMILES for 4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide is COc1ccc(OC(F)(F)F)cc1NC(=O)NCc1ccccc1OCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide?
The InChIKey is IQGPBWGMTLAMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O5/c1-33-21-11-10-18(35-24(25,26)27)12-19(21)30-23(32)29-13-17-4-2-3-5-20(17)34-14-15-6-8-16(9-7-15)22(28)31/h2-12H,13-14H2,1H3,(H2,28,31)(H2,29,30,32).
What are the key properties of 4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide?
4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide has a molecular weight of 489.45 g/mol, XLogP of 4.59, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide is sourced from PubChem (CID 126669737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).