1-[(2-bromophenyl)methyl]-3-(2-fluoroethyl)urea

C10H12BrFN2O — CID 25119142

IUPAC1-[(2-bromophenyl)methyl]-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)NCc1ccccc1Br
InChIInChI=1S/C10H12BrFN2O/c11-9-4-2-1-3-8(9)7-14-10(15)13-6-5-12/h1-4H,5-7H2,(H2,13,14,15)
InChIKeyQFBQAIZTSBWBES-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.22
Rot. Bonds4

About 1-[(2-bromophenyl)methyl]-3-(2-fluoroethyl)urea

1-[(2-bromophenyl)methyl]-3-(2-fluoroethyl)urea (PubChem CID 25119142) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-(2-fluoroethyl)urea
PubChem CID25119142
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name1-[(2-bromophenyl)methyl]-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)NCc1ccccc1Br
InChIInChI=1S/C10H12BrFN2O/c11-9-4-2-1-3-8(9)7-14-10(15)13-6-5-12/h1-4H,5-7H2,(H2,13,14,15)
InChIKeyQFBQAIZTSBWBES-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromobenzyl)acetamide
CID 2824953
Acetamide, N-(p-bromobenzyl)-2-fluoro-
CID 198020
N,N'-[(4-bromophenyl)methanediyl]bisprop-2-enamide
CID 2526911
4-Fluorobenzylurea
CID 2737289
Urea, 1-benzyl-3-ethyl-
CID 3046224
N-[(acetylamino)(4-bromophenyl)methyl]acetamide
CID 2830161
1-Benzyl-1-(3-bromobenzyl)-3-isopropylurea
CID 53322727
[(2-Fluorophenyl)methyl]urea
CID 1471973
1-Ethyl-3-[(4-fluorophenyl)methyl]urea
CID 68217434
4-(4-Bromophenyl)-1,3-dihydro-2H-imidazol-2-one
CID 13149226
[(3-Fluorophenyl)methyl]urea
CID 28970754
[1-[(4-Bromo-3-fluorophenyl)methyl]piperidin-4-yl]urea
CID 71923955

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3-(2-fluoroethyl)urea?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-(2-fluoroethyl)urea (CID 25119142) is 1-[(2-bromophenyl)methyl]-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-(2-fluoroethyl)urea is O=C(NCCF)NCc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-(2-fluoroethyl)urea?
The InChIKey is QFBQAIZTSBWBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c11-9-4-2-1-3-8(9)7-14-10(15)13-6-5-12/h1-4H,5-7H2,(H2,13,14,15).
What are the key properties of 1-[(2-bromophenyl)methyl]-3-(2-fluoroethyl)urea?
1-[(2-bromophenyl)methyl]-3-(2-fluoroethyl)urea has a molecular weight of 275.12 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3-(2-fluoroethyl)urea is sourced from PubChem (CID 25119142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).