1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea

C17H17F3N2O2 — CID 970411

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3N2O2/c1-24-15-7-5-12(6-8-15)9-10-21-16(23)22-14-4-2-3-13(11-14)17(18,19)20/h2-8,11H,9-10H2,1H3,(H2,21,22,23)
InChIKeyHVGQJNLLJKIVMG-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.08
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 970411) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID970411
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3N2O2/c1-24-15-7-5-12(6-8-15)9-10-21-16(23)22-14-4-2-3-13(11-14)17(18,19)20/h2-8,11H,9-10H2,1H3,(H2,21,22,23)
InChIKeyHVGQJNLLJKIVMG-UHFFFAOYSA-N
XLogP4.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896191
1-[2-(4-methoxyphenyl)-2-methylpropyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 113213647
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
N-[(4-methoxyphenyl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2281299
1-[2-(3-fluorophenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108901125
2-(4-methoxyphenyl)-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]acetamide
CID 112999418
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696660
N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552526
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869
1-(3-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]thiourea
CID 3596467
N-methyl-7-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]isoquinoline-3-carboxamide
CID 11407374
N-(4-fluorophenyl)-4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide
CID 42724470

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 970411) is 1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea is COc1ccc(CCNC(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is HVGQJNLLJKIVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-24-15-7-5-12(6-8-15)9-10-21-16(23)22-14-4-2-3-13(11-14)17(18,19)20/h2-8,11H,9-10H2,1H3,(H2,21,22,23).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 338.33 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 970411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).