1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea

C19H20F4N2O3 — CID 87003591

IUPAC1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
SMILESO=C(Nc1cccc(COCC(F)(F)C(F)F)c1)NC(CO)c1ccccc1
InChIInChI=1S/C19H20F4N2O3/c20-17(21)19(22,23)12-28-11-13-5-4-8-15(9-13)24-18(27)25-16(10-26)14-6-2-1-3-7-14/h1-9,16-17,26H,10-12H2,(H2,24,25,27)
InChIKeyGTCDARRTIOFNLH-UHFFFAOYSA-N
MW400.37 g/mol
LogP3.96
Rot. Bonds9

About 1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea

1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea (PubChem CID 87003591) has the molecular formula C19H20F4N2O3 and a molecular weight of 400.37 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
PubChem CID87003591
Molecular FormulaC19H20F4N2O3
Molecular Weight400.37 g/mol
Exact Mass400.14
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
SMILESO=C(Nc1cccc(COCC(F)(F)C(F)F)c1)NC(CO)c1ccccc1
InChIInChI=1S/C19H20F4N2O3/c20-17(21)19(22,23)12-28-11-13-5-4-8-15(9-13)24-18(27)25-16(10-26)14-6-2-1-3-7-14/h1-9,16-17,26H,10-12H2,(H2,24,25,27)
InChIKeyGTCDARRTIOFNLH-UHFFFAOYSA-N
XLogP3.96
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.37
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2,5-dimethylphenyl)ethyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 55770303
1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 72688028
2-(2-bromophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]acetamide
CID 86890323
1-(1-phenylpiperidin-3-yl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 86960333
N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide
CID 56826961
4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide
CID 51118830
1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea
CID 72688100
3-methyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 86877132
2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118828
1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
CID 111458987
1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 86904726
2,2,2-trifluoro-N-[3-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenyl]acetamide
CID 114010222

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea (CID 87003591) is 1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea is O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)NC(CO)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea?
The InChIKey is GTCDARRTIOFNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N2O3/c20-17(21)19(22,23)12-28-11-13-5-4-8-15(9-13)24-18(27)25-16(10-26)14-6-2-1-3-7-14/h1-9,16-17,26H,10-12H2,(H2,24,25,27).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea?
1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea has a molecular weight of 400.37 g/mol, XLogP of 3.96, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea is sourced from PubChem (CID 87003591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).