1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]urea

C22H20F3N3O4 — CID 126669515

IUPAC1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]urea
SMILESCOc1ccc(OC(F)(F)F)cc1NC(=O)NCc1ccccc1OCc1cccnc1
InChIInChI=1S/C22H20F3N3O4/c1-30-20-9-8-17(32-22(23,24)25)11-18(20)28-21(29)27-13-16-6-2-3-7-19(16)31-14-15-5-4-10-26-12-15/h2-12H,13-14H2,1H3,(H2,27,28,29)
InChIKeyDRHOLJWBQITYCM-UHFFFAOYSA-N
MW447.41 g/mol
LogP4.89
Rot. Bonds8

About 1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]urea

1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]urea (PubChem CID 126669515) has the molecular formula C22H20F3N3O4 and a molecular weight of 447.41 g/mol. Its IUPAC name is 1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]urea
PubChem CID126669515
Molecular FormulaC22H20F3N3O4
Molecular Weight447.41 g/mol
Exact Mass447.14
IUPAC Name1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]urea
SMILESCOc1ccc(OC(F)(F)F)cc1NC(=O)NCc1ccccc1OCc1cccnc1
InChIInChI=1S/C22H20F3N3O4/c1-30-20-9-8-17(32-22(23,24)25)11-18(20)28-21(29)27-13-16-6-2-3-7-19(16)31-14-15-5-4-10-26-12-15/h2-12H,13-14H2,1H3,(H2,27,28,29)
InChIKeyDRHOLJWBQITYCM-UHFFFAOYSA-N
XLogP4.89
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]urea with MolForge

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Related Compounds

3-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzoic acid
CID 126669353
4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide
CID 126669737
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
[4-[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]benzoyl]azanium
CID 145268886
1-[2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]-3-[[2-(pyridin-4-ylmethoxy)phenyl]methyl]urea
CID 126669722
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 47326377
1-[2-methoxy-5-(trifluoromethoxymethyl)phenyl]-3-[[2-(4-methylphenoxy)phenyl]methyl]urea
CID 135215449
4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 60543450
N-(2-methoxy-5-methylphenyl)-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 60525115
4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide
CID 126669544

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]urea?
The IUPAC name of 1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]urea (CID 126669515) is 1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]urea is COc1ccc(OC(F)(F)F)cc1NC(=O)NCc1ccccc1OCc1cccnc1.
What is the InChIKey of 1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]urea?
The InChIKey is DRHOLJWBQITYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O4/c1-30-20-9-8-17(32-22(23,24)25)11-18(20)28-21(29)27-13-16-6-2-3-7-19(16)31-14-15-5-4-10-26-12-15/h2-12H,13-14H2,1H3,(H2,27,28,29).
What are the key properties of 1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]urea?
1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]urea has a molecular weight of 447.41 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]urea is sourced from PubChem (CID 126669515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).