1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea

C15H12BrFN2O2 — CID 61345864

IUPAC1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2cc(Br)ccc2F)c1
InChIInChI=1S/C15H12BrFN2O2/c1-9(20)10-3-2-4-12(7-10)18-15(21)19-14-8-11(16)5-6-13(14)17/h2-8H,1H3,(H2,18,19,21)
InChIKeyPAQCZTRZAIEHOX-UHFFFAOYSA-N
MW351.18 g/mol
LogP4.43
Rot. Bonds3

About 1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea

1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea (PubChem CID 61345864) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea
PubChem CID61345864
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2cc(Br)ccc2F)c1
InChIInChI=1S/C15H12BrFN2O2/c1-9(20)10-3-2-4-12(7-10)18-15(21)19-14-8-11(16)5-6-13(14)17/h2-8H,1H3,(H2,18,19,21)
InChIKeyPAQCZTRZAIEHOX-UHFFFAOYSA-N
XLogP4.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
CID 3468982
1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61339972
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
1-(3-acetylphenyl)-3-(2-bromo-6-fluorophenyl)urea
CID 107602984
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea
CID 61346467
1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 46859946
1-(3-acetylphenyl)-3-[(2-fluorobenzoyl)amino]urea
CID 971459
(2S)-N-(3-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522807
1-(3-acetylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886351
1-(3-aminophenyl)-3-(4-bromo-2-fluorophenyl)urea
CID 29283371
1-(4-bromo-2-methylphenyl)-3-(3-fluorophenyl)urea
CID 54911411

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea (CID 61345864) is 1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea is CC(=O)c1cccc(NC(=O)Nc2cc(Br)ccc2F)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea?
The InChIKey is PAQCZTRZAIEHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c1-9(20)10-3-2-4-12(7-10)18-15(21)19-14-8-11(16)5-6-13(14)17/h2-8H,1H3,(H2,18,19,21).
What are the key properties of 1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea?
1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea has a molecular weight of 351.18 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea is sourced from PubChem (CID 61345864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).