1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-phenylphenyl)urea

C20H16BrFN2O — CID 74228460

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-phenylphenyl)urea
SMILESO=C(NCc1cc(Br)ccc1F)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H16BrFN2O/c21-16-10-11-18(22)15(12-16)13-23-20(25)24-19-9-5-4-8-17(19)14-6-2-1-3-7-14/h1-12H,13H2,(H2,23,24,25)
InChIKeySSHNCGKLYHFRHY-UHFFFAOYSA-N
MW399.26 g/mol
LogP5.58
Rot. Bonds4

About 1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-phenylphenyl)urea

1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-phenylphenyl)urea (PubChem CID 74228460) has the molecular formula C20H16BrFN2O and a molecular weight of 399.26 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-phenylphenyl)urea.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-phenylphenyl)urea
PubChem CID74228460
Molecular FormulaC20H16BrFN2O
Molecular Weight399.26 g/mol
Exact Mass398.04
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-phenylphenyl)urea
SMILESO=C(NCc1cc(Br)ccc1F)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H16BrFN2O/c21-16-10-11-18(22)15(12-16)13-23-20(25)24-19-9-5-4-8-17(19)14-6-2-1-3-7-14/h1-12H,13H2,(H2,23,24,25)
InChIKeySSHNCGKLYHFRHY-UHFFFAOYSA-N
XLogP5.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.26
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-(5-bromo-2-fluorophenyl)urea
CID 103658658
1-amino-3-[(5-bromo-2-fluorophenyl)methyl]urea
CID 115192697
N-[(5-bromo-2-fluorophenyl)methyl]-3-phenylprop-2-ynamide
CID 61299084
N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide
CID 61298690
1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea
CID 47176805
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
N-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55829227
N-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide
CID 46485276
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-phenylphenyl)acetamide
CID 7701761
N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide
CID 55137134
N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide
CID 115175686
N-[(5-bromo-2-fluorophenyl)methyl]-2-(hydroxymethyl)butanamide
CID 115186586

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-phenylphenyl)urea?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-phenylphenyl)urea (CID 74228460) is 1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-phenylphenyl)urea.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-phenylphenyl)urea?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-phenylphenyl)urea is O=C(NCc1cc(Br)ccc1F)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-phenylphenyl)urea?
The InChIKey is SSHNCGKLYHFRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrFN2O/c21-16-10-11-18(22)15(12-16)13-23-20(25)24-19-9-5-4-8-17(19)14-6-2-1-3-7-14/h1-12H,13H2,(H2,23,24,25).
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-phenylphenyl)urea?
1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-phenylphenyl)urea has a molecular weight of 399.26 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-phenylphenyl)urea is sourced from PubChem (CID 74228460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).