1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea

C14H12BrFN2O2 — CID 156854728

IUPAC1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea
SMILESO=C(Nc1cccc(Br)c1)Nc1cccc(F)c1CO
InChIInChI=1S/C14H12BrFN2O2/c15-9-3-1-4-10(7-9)17-14(20)18-13-6-2-5-12(16)11(13)8-19/h1-7,19H,8H2,(H2,17,18,20)
InChIKeyDODNIQTWDATJFC-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.72
Rot. Bonds3

About 1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea

1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea (PubChem CID 156854728) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea
PubChem CID156854728
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea
SMILESO=C(Nc1cccc(Br)c1)Nc1cccc(F)c1CO
InChIInChI=1S/C14H12BrFN2O2/c15-9-3-1-4-10(7-9)17-14(20)18-13-6-2-5-12(16)11(13)8-19/h1-7,19H,8H2,(H2,17,18,20)
InChIKeyDODNIQTWDATJFC-UHFFFAOYSA-N
XLogP3.72
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
CID 3468982
1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea
CID 156854541
1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 46859946
1-[3-chloro-2-(hydroxymethyl)phenyl]-3-(3,5-dibromophenyl)urea
CID 156854573
1-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005
2-[(3-bromophenyl)carbamoylamino]-4-fluorobenzoic acid
CID 61189999
1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea
CID 61345864
N-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide
CID 108522076
1-(3-aminophenyl)-3-(4-bromo-2-fluorophenyl)urea
CID 29283371
1-[3-bromo-2-(hydroxymethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 156854434
1-[3,5-dibromo-2-(hydroxymethyl)phenyl]-3-(3-methylsulfanylphenyl)urea
CID 156854654

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea?
The IUPAC name of 1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea (CID 156854728) is 1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea?
The canonical SMILES for 1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea is O=C(Nc1cccc(Br)c1)Nc1cccc(F)c1CO.
What is the InChIKey of 1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea?
The InChIKey is DODNIQTWDATJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c15-9-3-1-4-10(7-9)17-14(20)18-13-6-2-5-12(16)11(13)8-19/h1-7,19H,8H2,(H2,17,18,20).
What are the key properties of 1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea?
1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea has a molecular weight of 339.16 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea is sourced from PubChem (CID 156854728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).