1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea

C21H24F3N3O3 — CID 35973686

IUPAC1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C21H24F3N3O3/c22-21(23,24)30-19-7-5-16(6-8-19)13-25-20(28)26-14-17-3-1-2-4-18(17)15-27-9-11-29-12-10-27/h1-8H,9-15H2,(H2,25,26,28)
InChIKeyOOPONPXUXYVDAI-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.42
Rot. Bonds7

About 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea

1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea (PubChem CID 35973686) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
PubChem CID35973686
Molecular FormulaC21H24F3N3O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC Name1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C21H24F3N3O3/c22-21(23,24)30-19-7-5-16(6-8-19)13-25-20(28)26-14-17-3-1-2-4-18(17)15-27-9-11-29-12-10-27/h1-8H,9-15H2,(H2,25,26,28)
InChIKeyOOPONPXUXYVDAI-UHFFFAOYSA-N
XLogP3.42
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chlorophenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36874306
1-[[4-(dimethylamino)phenyl]methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 38949763
1-[2-(2-fluorophenyl)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36873779
1-methoxy-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 47160584
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea
CID 36524900
1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111597788
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 8500320
4-(aminomethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide
CID 120920598
1-(2-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869107
1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869101

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea (CID 35973686) is 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea is O=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The InChIKey is OOPONPXUXYVDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c22-21(23,24)30-19-7-5-16(6-8-19)13-25-20(28)26-14-17-3-1-2-4-18(17)15-27-9-11-29-12-10-27/h1-8H,9-15H2,(H2,25,26,28).
What are the key properties of 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea?
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea has a molecular weight of 423.44 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 35973686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).