1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea

C15H13Cl2FN2O2 — CID 51944513

IUPAC1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NC[C@H](O)c1cccc(Cl)c1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O2/c16-10-3-1-2-9(6-10)14(21)8-19-15(22)20-11-4-5-13(18)12(17)7-11/h1-7,14,21H,8H2,(H2,19,20,22)/t14-/m0/s1
InChIKeyAXZIQLJSDDRYJU-AWEZNQCLSA-N
MW343.19 g/mol
LogP3.99
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea

1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea (PubChem CID 51944513) has the molecular formula C15H13Cl2FN2O2 and a molecular weight of 343.19 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
PubChem CID51944513
Molecular FormulaC15H13Cl2FN2O2
Molecular Weight343.19 g/mol
Exact Mass342.03
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NC[C@H](O)c1cccc(Cl)c1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O2/c16-10-3-1-2-9(6-10)14(21)8-19-15(22)20-11-4-5-13(18)12(17)7-11/h1-7,14,21H,8H2,(H2,19,20,22)/t14-/m0/s1
InChIKeyAXZIQLJSDDRYJU-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-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42960515
1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116754
1-(3-chloro-4-cyanophenyl)-3-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 51945011
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-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 42960513
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea
CID 51944880
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-cyanophenyl)urea
CID 38282945
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea
CID 51944524
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
1-(3-chloro-4-fluorophenyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452669

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea (CID 51944513) is 1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea is O=C(NC[C@H](O)c1cccc(Cl)c1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea?
The InChIKey is AXZIQLJSDDRYJU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O2/c16-10-3-1-2-9(6-10)14(21)8-19-15(22)20-11-4-5-13(18)12(17)7-11/h1-7,14,21H,8H2,(H2,19,20,22)/t14-/m0/s1.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea?
1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-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-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 51944513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).