1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea

C15H13BrClFN2O2 — CID 166747587

IUPAC1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea
SMILESO=C(Nc1cc(F)cc(Br)c1)Nc1cc(Cl)ccc1CCO
InChIInChI=1S/C15H13BrClFN2O2/c16-10-5-12(18)8-13(6-10)19-15(22)20-14-7-11(17)2-1-9(14)3-4-21/h1-2,5-8,21H,3-4H2,(H2,19,20,22)
InChIKeyIUVRUDZDUCZOJT-UHFFFAOYSA-N
MW387.64 g/mol
LogP4.42
Rot. Bonds4

About 1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea

1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea (PubChem CID 166747587) has the molecular formula C15H13BrClFN2O2 and a molecular weight of 387.64 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea
PubChem CID166747587
Molecular FormulaC15H13BrClFN2O2
Molecular Weight387.64 g/mol
Exact Mass385.98
IUPAC Name1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea
SMILESO=C(Nc1cc(F)cc(Br)c1)Nc1cc(Cl)ccc1CCO
InChIInChI=1S/C15H13BrClFN2O2/c16-10-5-12(18)8-13(6-10)19-15(22)20-14-7-11(17)2-1-9(14)3-4-21/h1-2,5-8,21H,3-4H2,(H2,19,20,22)
InChIKeyIUVRUDZDUCZOJT-UHFFFAOYSA-N
XLogP4.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.64
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea
CID 156854541
1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
CID 156854682
4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854205
1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea
CID 156854357
4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide
CID 166747486
1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea
CID 156854371
N-(2-aminoethyl)-4-chloro-2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854312
2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 156854108
1-[5-chloro-2-(hydroxymethyl)phenyl]-3-[3-(2-hydroxyethylamino)-5-methoxyphenyl]urea
CID 156854692
4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 156854041
4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide
CID 156854289
2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide
CID 166747489

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea (CID 166747587) is 1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea is O=C(Nc1cc(F)cc(Br)c1)Nc1cc(Cl)ccc1CCO.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea?
The InChIKey is IUVRUDZDUCZOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFN2O2/c16-10-5-12(18)8-13(6-10)19-15(22)20-14-7-11(17)2-1-9(14)3-4-21/h1-2,5-8,21H,3-4H2,(H2,19,20,22).
What are the key properties of 1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea?
1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea has a molecular weight of 387.64 g/mol, XLogP of 4.42, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 166747587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).