1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea

C17H17F3N2O3 — CID 47034671

IUPAC1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
SMILESCOc1ccccc1NC(=O)NCc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O3/c1-24-15-8-3-2-7-14(15)22-16(23)21-10-12-5-4-6-13(9-12)25-11-17(18,19)20/h2-9H,10-11H2,1H3,(H2,21,22,23)
InChIKeyMVPIAXYBFATLBY-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.96
Rot. Bonds6

About 1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea

1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea (PubChem CID 47034671) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
PubChem CID47034671
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC Name1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
SMILESCOc1ccccc1NC(=O)NCc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O3/c1-24-15-8-3-2-7-14(15)22-16(23)21-10-12-5-4-6-13(9-12)25-11-17(18,19)20/h2-9H,10-11H2,1H3,(H2,21,22,23)
InChIKeyMVPIAXYBFATLBY-UHFFFAOYSA-N
XLogP3.96
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyethoxy)phenyl]-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 86841804
N-[2-methoxy-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]phenyl]acetamide
CID 55744578
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 38268450
1-(2-propan-2-yloxy-3-pyridinyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 112835406
1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 100747631
1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 3844619
1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 47192993
tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate
CID 58686888
3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55743105
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 52593579
1-(4-hydroxy-3-methylbutan-2-yl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 111454340
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea (CID 47034671) is 1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea is COc1ccccc1NC(=O)NCc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea?
The InChIKey is MVPIAXYBFATLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c1-24-15-8-3-2-7-14(15)22-16(23)21-10-12-5-4-6-13(9-12)25-11-17(18,19)20/h2-9H,10-11H2,1H3,(H2,21,22,23).
What are the key properties of 1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea?
1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea has a molecular weight of 354.33 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea is sourced from PubChem (CID 47034671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).