1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea

C15H13F3N2O2 — CID 42959013

IUPAC1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
SMILESO=C(NCC(O)c1ccc(F)cc1F)Nc1ccc(F)cc1
InChIInChI=1S/C15H13F3N2O2/c16-9-1-4-11(5-2-9)20-15(22)19-8-14(21)12-6-3-10(17)7-13(12)18/h1-7,14,21H,8H2,(H2,19,20,22)
InChIKeyWTMBGFRYMXVUIB-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.96
Rot. Bonds4

About 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea

1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea (PubChem CID 42959013) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
PubChem CID42959013
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
SMILESO=C(NCC(O)c1ccc(F)cc1F)Nc1ccc(F)cc1
InChIInChI=1S/C15H13F3N2O2/c16-9-1-4-11(5-2-9)20-15(22)19-8-14(21)12-6-3-10(17)7-13(12)18/h1-7,14,21H,8H2,(H2,19,20,22)
InChIKeyWTMBGFRYMXVUIB-UHFFFAOYSA-N
XLogP2.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea
CID 51729222
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(3-ethylphenyl)urea
CID 51944769
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42960515
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea
CID 94024696
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 56528086
1-(3-fluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94809233
N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide
CID 166196892
N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 51080282
1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94811823
1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51944583
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554669

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea (CID 42959013) is 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea is O=C(NCC(O)c1ccc(F)cc1F)Nc1ccc(F)cc1.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea?
The InChIKey is WTMBGFRYMXVUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c16-9-1-4-11(5-2-9)20-15(22)19-8-14(21)12-6-3-10(17)7-13(12)18/h1-7,14,21H,8H2,(H2,19,20,22).
What are the key properties of 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea?
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea has a molecular weight of 310.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 42959013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).