1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea

C19H21F3N2O3 — CID 60586866

IUPAC1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea
SMILESCCOc1ccc(NC(=O)NC(C)c2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H21F3N2O3/c1-3-26-16-10-6-15(7-11-16)24-18(25)23-13(2)14-4-8-17(9-5-14)27-12-19(20,21)22/h4-11,13H,3,12H2,1-2H3,(H2,23,24,25)
InChIKeyXUJGNEJTQZZOMW-UHFFFAOYSA-N
MW382.38 g/mol
LogP4.91
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea

1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea (PubChem CID 60586866) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea
PubChem CID60586866
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea
SMILESCCOc1ccc(NC(=O)NC(C)c2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H21F3N2O3/c1-3-26-16-10-6-15(7-11-16)24-18(25)23-13(2)14-4-8-17(9-5-14)27-12-19(20,21)22/h4-11,13H,3,12H2,1-2H3,(H2,23,24,25)
InChIKeyXUJGNEJTQZZOMW-UHFFFAOYSA-N
XLogP4.91
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40637158
2,2,2-trifluoroethyl N-[1-(4-ethoxyphenyl)ethyl]carbamate
CID 60705841
N-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide
CID 52502800
ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate
CID 60705257
1-[1-(4-bromophenyl)ethyl]-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 112808744
1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 110892427
2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119748726
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 134026710
N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide
CID 7375064
1-[1-(4-ethoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
CID 2957728
1-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
CID 971988
2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide
CID 120667813

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea (CID 60586866) is 1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea is CCOc1ccc(NC(=O)NC(C)c2ccc(OCC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea?
The InChIKey is XUJGNEJTQZZOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-3-26-16-10-6-15(7-11-16)24-18(25)23-13(2)14-4-8-17(9-5-14)27-12-19(20,21)22/h4-11,13H,3,12H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea?
1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea has a molecular weight of 382.38 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea is sourced from PubChem (CID 60586866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).