1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea

C16H14F4N2O2 — CID 51102231

IUPAC1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC(O)c1cccc(F)c1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H14F4N2O2/c17-11-5-3-4-10(8-11)14(23)9-21-15(24)22-13-7-2-1-6-12(13)16(18,19)20/h1-8,14,23H,9H2,(H2,21,22,24)
InChIKeySCHDPGRQGNGRKJ-UHFFFAOYSA-N
MW342.29 g/mol
LogP3.70
Rot. Bonds4

About 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 51102231) has the molecular formula C16H14F4N2O2 and a molecular weight of 342.29 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID51102231
Molecular FormulaC16H14F4N2O2
Molecular Weight342.29 g/mol
Exact Mass342.10
IUPAC Name1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC(O)c1cccc(F)c1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H14F4N2O2/c17-11-5-3-4-10(8-11)14(23)9-21-15(24)22-13-7-2-1-6-12(13)16(18,19)20/h1-8,14,23H,9H2,(H2,21,22,24)
InChIKeySCHDPGRQGNGRKJ-UHFFFAOYSA-N
XLogP3.70
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 71803918
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111119324
1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116768
1-(2-hydroxy-3-phenylpropyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 56765329
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide
CID 119306982
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)acetamide
CID 51094283
1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2812620
1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890317
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-prop-2-ynylurea
CID 111108600
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(methylamino)acetamide
CID 119755074
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[3-[(4-fluorophenyl)methoxy]phenyl]urea
CID 56520326
1-(4-hydroxy-2-methylbutyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 66106705

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 51102231) is 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea is O=C(NCC(O)c1cccc(F)c1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is SCHDPGRQGNGRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O2/c17-11-5-3-4-10(8-11)14(23)9-21-15(24)22-13-7-2-1-6-12(13)16(18,19)20/h1-8,14,23H,9H2,(H2,21,22,24).
What are the key properties of 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 342.29 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 51102231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).