4-[[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide

C23H20F3N3O3 — CID 126669548

IUPAC4-[[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide
SMILESNC(=O)c1ccc(COc2ccccc2CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H20F3N3O3/c24-23(25,26)18-5-3-6-19(12-18)29-22(31)28-13-17-4-1-2-7-20(17)32-14-15-8-10-16(11-9-15)21(27)30/h1-12H,13-14H2,(H2,27,30)(H2,28,29,31)
InChIKeyCUWAXUIRNYPREH-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.70
Rot. Bonds7

About 4-[[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide

4-[[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide (PubChem CID 126669548) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is 4-[[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide
PubChem CID126669548
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Name4-[[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide
SMILESNC(=O)c1ccc(COc2ccccc2CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H20F3N3O3/c24-23(25,26)18-5-3-6-19(12-18)29-22(31)28-13-17-4-1-2-7-20(17)32-14-15-8-10-16(11-9-15)21(27)30/h1-12H,13-14H2,(H2,27,30)(H2,28,29,31)
InChIKeyCUWAXUIRNYPREH-UHFFFAOYSA-N
XLogP4.70
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide
CID 126669737
4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide
CID 126669544
2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 118043131
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
ethane;4-[2-[[[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide
CID 145268881
4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5002030
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2897923
N-[2-[[[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide
CID 150230489
1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 112970275
1-(2-amino-2-hydroxyiminoethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 61316502
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
4-[[2-(anilinomethyl)phenoxy]methyl]benzoic acid
CID 126125704

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide?
The IUPAC name of 4-[[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide (CID 126669548) is 4-[[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide.
What is the SMILES notation for 4-[[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide?
The canonical SMILES for 4-[[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide is NC(=O)c1ccc(COc2ccccc2CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide?
The InChIKey is CUWAXUIRNYPREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c24-23(25,26)18-5-3-6-19(12-18)29-22(31)28-13-17-4-1-2-7-20(17)32-14-15-8-10-16(11-9-15)21(27)30/h1-12H,13-14H2,(H2,27,30)(H2,28,29,31).
What are the key properties of 4-[[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide?
4-[[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide has a molecular weight of 443.43 g/mol, XLogP of 4.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide is sourced from PubChem (CID 126669548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).