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

C11H12BrFN2O — CID 47176805

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea
SMILESO=C(NCc1cc(Br)ccc1F)NC1CC1
InChIInChI=1S/C11H12BrFN2O/c12-8-1-4-10(13)7(5-8)6-14-11(16)15-9-2-3-9/h1,4-5,9H,2-3,6H2,(H2,14,15,16)
InChIKeyARETYLZVJPKSTP-UHFFFAOYSA-N
MW287.13 g/mol
LogP2.55
Rot. Bonds3

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

1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea (PubChem CID 47176805) has the molecular formula C11H12BrFN2O and a molecular weight of 287.13 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea
PubChem CID47176805
Molecular FormulaC11H12BrFN2O
Molecular Weight287.13 g/mol
Exact Mass286.01
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea
SMILESO=C(NCc1cc(Br)ccc1F)NC1CC1
InChIInChI=1S/C11H12BrFN2O/c12-8-1-4-10(13)7(5-8)6-14-11(16)15-9-2-3-9/h1,4-5,9H,2-3,6H2,(H2,14,15,16)
InChIKeyARETYLZVJPKSTP-UHFFFAOYSA-N
XLogP2.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-3-[(5-bromo-2-fluorophenyl)methyl]urea
CID 115192697
N-[(5-bromo-2-fluorophenyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethylacetamide
CID 51123201
1-cyclobutyl-3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]urea
CID 119070514
4-[(4-bromo-2-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001618
N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide
CID 55137134
N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide
CID 115175686
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide
CID 106827402
2-[(5-bromo-2-fluorophenyl)methyl]-3-(cyclopropylamino)-2-methyl-3-oxopropanoic acid
CID 114900344
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
1-[(2-fluorophenyl)methyl]-3-piperidin-4-ylurea
CID 117235479
1-[(4-bromo-2-fluorophenyl)methyl]-3-[(2R,3S)-2-methyloxolan-3-yl]urea
CID 97249638

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea (CID 47176805) is 1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea is O=C(NCc1cc(Br)ccc1F)NC1CC1.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea?
The InChIKey is ARETYLZVJPKSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O/c12-8-1-4-10(13)7(5-8)6-14-11(16)15-9-2-3-9/h1,4-5,9H,2-3,6H2,(H2,14,15,16).
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea?
1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea has a molecular weight of 287.13 g/mol, XLogP of 2.55, 3 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-cyclopropylurea is sourced from PubChem (CID 47176805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).