1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea

C15H13Cl2FN2O2 — CID 52591003

IUPAC1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NC[C@H](O)c1ccc(F)cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2FN2O2/c16-10-3-6-12(17)13(7-10)20-15(22)19-8-14(21)9-1-4-11(18)5-2-9/h1-7,14,21H,8H2,(H2,19,20,22)/t14-/m0/s1
InChIKeyKRUXIAWASYVPIL-AWEZNQCLSA-N
MW343.19 g/mol
LogP3.99
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea

1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 52591003) has the molecular formula C15H13Cl2FN2O2 and a molecular weight of 343.19 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID52591003
Molecular FormulaC15H13Cl2FN2O2
Molecular Weight343.19 g/mol
Exact Mass342.03
IUPAC Name1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NC[C@H](O)c1ccc(F)cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2FN2O2/c16-10-3-6-12(17)13(7-10)20-15(22)19-8-14(21)9-1-4-11(18)5-2-9/h1-7,14,21H,8H2,(H2,19,20,22)/t14-/m0/s1
InChIKeyKRUXIAWASYVPIL-AWEZNQCLSA-N
XLogP3.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 75876358
1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890317
1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea
CID 113492767
2-(2,5-dichlorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 110910978
1-(5-chloro-2-methylphenyl)-3-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
CID 51944865
1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 46494085
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42960515
1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916204
1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890491
1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
CID 42959006
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,4-dichlorophenyl)urea
CID 51944288
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea
CID 110890570

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea (CID 52591003) is 1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea is O=C(NC[C@H](O)c1ccc(F)cc1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is KRUXIAWASYVPIL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O2/c16-10-3-6-12(17)13(7-10)20-15(22)19-8-14(21)9-1-4-11(18)5-2-9/h1-7,14,21H,8H2,(H2,19,20,22)/t14-/m0/s1.
What are the key properties of 1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea?
1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 343.19 g/mol, XLogP of 3.99, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 52591003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).