1-[2-(2-chlorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea

C17H16ClF3N2O2 — CID 90624044

IUPAC1-[2-(2-chlorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOC(CNC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1Cl
InChIInChI=1S/C17H16ClF3N2O2/c1-25-15(13-7-2-3-8-14(13)18)10-22-16(24)23-12-6-4-5-11(9-12)17(19,20)21/h2-9,15H,10H2,1H3,(H2,22,23,24)
InChIKeySYLLGLXANTZSKJ-UHFFFAOYSA-N
MW372.77 g/mol
LogP4.87
Rot. Bonds5

About 1-[2-(2-chlorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[2-(2-chlorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 90624044) has the molecular formula C17H16ClF3N2O2 and a molecular weight of 372.77 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID90624044
Molecular FormulaC17H16ClF3N2O2
Molecular Weight372.77 g/mol
Exact Mass372.09
IUPAC Name1-[2-(2-chlorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOC(CNC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1Cl
InChIInChI=1S/C17H16ClF3N2O2/c1-25-15(13-7-2-3-8-14(13)18)10-22-16(24)23-12-6-4-5-11(9-12)17(19,20)21/h2-9,15H,10H2,1H3,(H2,22,23,24)
InChIKeySYLLGLXANTZSKJ-UHFFFAOYSA-N
XLogP4.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90623997
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 73168484
1-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90623654
1-(2-hydroxy-3-methylbutyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 115645016
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide
CID 90623820
1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2812620
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
1-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90581736
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea
CID 90623219
1-[(2-chloro-6-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 3793083
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 99876253
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(2-chlorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 90624044) is 1-[2-(2-chlorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(2-chlorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea is COC(CNC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is SYLLGLXANTZSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2/c1-25-15(13-7-2-3-8-14(13)18)10-22-16(24)23-12-6-4-5-11(9-12)17(19,20)21/h2-9,15H,10H2,1H3,(H2,22,23,24).
What are the key properties of 1-[2-(2-chlorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[2-(2-chlorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 372.77 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 90624044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).