1-(5-bromofuran-2-yl)-3-[(3-fluorophenyl)methyl]urea

C12H10BrFN2O2 — CID 108873105

IUPAC1-(5-bromofuran-2-yl)-3-[(3-fluorophenyl)methyl]urea
SMILESO=C(NCc1cccc(F)c1)Nc1ccc(Br)o1
InChIInChI=1S/C12H10BrFN2O2/c13-10-4-5-11(18-10)16-12(17)15-7-8-2-1-3-9(14)6-8/h1-6H,7H2,(H2,15,16,17)
InChIKeyCBFHOURXFYUWFJ-UHFFFAOYSA-N
MW313.13 g/mol
LogP3.50
Rot. Bonds3

About 1-(5-bromofuran-2-yl)-3-[(3-fluorophenyl)methyl]urea

1-(5-bromofuran-2-yl)-3-[(3-fluorophenyl)methyl]urea (PubChem CID 108873105) has the molecular formula C12H10BrFN2O2 and a molecular weight of 313.13 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-3-[(3-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-3-[(3-fluorophenyl)methyl]urea
PubChem CID108873105
Molecular FormulaC12H10BrFN2O2
Molecular Weight313.13 g/mol
Exact Mass311.99
IUPAC Name1-(5-bromofuran-2-yl)-3-[(3-fluorophenyl)methyl]urea
SMILESO=C(NCc1cccc(F)c1)Nc1ccc(Br)o1
InChIInChI=1S/C12H10BrFN2O2/c13-10-4-5-11(18-10)16-12(17)15-7-8-2-1-3-9(14)6-8/h1-6H,7H2,(H2,15,16,17)
InChIKeyCBFHOURXFYUWFJ-UHFFFAOYSA-N
XLogP3.50
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898606
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
1-[(3-fluorophenyl)methyl]-3-sulfanylurea
CID 141033956
1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108898501
1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108873114
1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 3444082
1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 108892644
(2S)-2-[(3-fluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
CID 71461261
2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
CID 16780933
1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea
CID 117235352
1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47192342
N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 43123260

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-3-[(3-fluorophenyl)methyl]urea?
The IUPAC name of 1-(5-bromofuran-2-yl)-3-[(3-fluorophenyl)methyl]urea (CID 108873105) is 1-(5-bromofuran-2-yl)-3-[(3-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-3-[(3-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(5-bromofuran-2-yl)-3-[(3-fluorophenyl)methyl]urea is O=C(NCc1cccc(F)c1)Nc1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-3-[(3-fluorophenyl)methyl]urea?
The InChIKey is CBFHOURXFYUWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2/c13-10-4-5-11(18-10)16-12(17)15-7-8-2-1-3-9(14)6-8/h1-6H,7H2,(H2,15,16,17).
What are the key properties of 1-(5-bromofuran-2-yl)-3-[(3-fluorophenyl)methyl]urea?
1-(5-bromofuran-2-yl)-3-[(3-fluorophenyl)methyl]urea has a molecular weight of 313.13 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-3-[(3-fluorophenyl)methyl]urea is sourced from PubChem (CID 108873105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).