1-[1-(3-bromo-4-fluorophenyl)ethyl]-1-hydroxyurea

C9H10BrFN2O2 — CID 54090963

IUPAC1-[1-(3-bromo-4-fluorophenyl)ethyl]-1-hydroxyurea
SMILESCC(c1ccc(F)c(Br)c1)N(O)C(N)=O
InChIInChI=1S/C9H10BrFN2O2/c1-5(13(15)9(12)14)6-2-3-8(11)7(10)4-6/h2-5,15H,1H3,(H2,12,14)
InChIKeyMTUUEXSMMLEMLJ-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.42
Rot. Bonds2

About 1-[1-(3-bromo-4-fluorophenyl)ethyl]-1-hydroxyurea

1-[1-(3-bromo-4-fluorophenyl)ethyl]-1-hydroxyurea (PubChem CID 54090963) has the molecular formula C9H10BrFN2O2 and a molecular weight of 277.09 g/mol. Its IUPAC name is 1-[1-(3-bromo-4-fluorophenyl)ethyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[1-(3-bromo-4-fluorophenyl)ethyl]-1-hydroxyurea
PubChem CID54090963
Molecular FormulaC9H10BrFN2O2
Molecular Weight277.09 g/mol
Exact Mass275.99
IUPAC Name1-[1-(3-bromo-4-fluorophenyl)ethyl]-1-hydroxyurea
SMILESCC(c1ccc(F)c(Br)c1)N(O)C(N)=O
InChIInChI=1S/C9H10BrFN2O2/c1-5(13(15)9(12)14)6-2-3-8(11)7(10)4-6/h2-5,15H,1H3,(H2,12,14)
InChIKeyMTUUEXSMMLEMLJ-UHFFFAOYSA-N
XLogP2.42
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-N-hydroxyurea
CID 10634989
N-hydroxy-N-(1-phenylethyl)urea
CID 10375026
N-[(5-bromo-2-fluorophenyl)methyl]-2-(carbamoylamino)propanamide
CID 47208514
US20250002452, Example 16
CID 169150549
N-[(3-bromophenyl)(phenyl)methyl]urea
CID 2850260
3-[(4-Bromo-3-fluorophenyl)methyl]-1-methyl-1-prop-2-enylurea
CID 91661468
4-(5-bromo-2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 10318130
1-[1-(2,4-Difluorophenyl)ethyl]-1-hydroxy-3-methylurea
CID 19780481
1-[1-(4-Fluorophenyl)ethyl]-1-hydroxy-3-methylurea
CID 19780508
1-[1-(3-Bromo-4-fluorophenyl)ethyl]-1-hydroxy-3-methylurea
CID 19780529
4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonitrile
CID 22473433
4-(5-bromo-2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonitrile
CID 22473454

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromo-4-fluorophenyl)ethyl]-1-hydroxyurea?
The IUPAC name of 1-[1-(3-bromo-4-fluorophenyl)ethyl]-1-hydroxyurea (CID 54090963) is 1-[1-(3-bromo-4-fluorophenyl)ethyl]-1-hydroxyurea.
What is the SMILES notation for 1-[1-(3-bromo-4-fluorophenyl)ethyl]-1-hydroxyurea?
The canonical SMILES for 1-[1-(3-bromo-4-fluorophenyl)ethyl]-1-hydroxyurea is CC(c1ccc(F)c(Br)c1)N(O)C(N)=O.
What is the InChIKey of 1-[1-(3-bromo-4-fluorophenyl)ethyl]-1-hydroxyurea?
The InChIKey is MTUUEXSMMLEMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O2/c1-5(13(15)9(12)14)6-2-3-8(11)7(10)4-6/h2-5,15H,1H3,(H2,12,14).
What are the key properties of 1-[1-(3-bromo-4-fluorophenyl)ethyl]-1-hydroxyurea?
1-[1-(3-bromo-4-fluorophenyl)ethyl]-1-hydroxyurea has a molecular weight of 277.09 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromo-4-fluorophenyl)ethyl]-1-hydroxyurea is sourced from PubChem (CID 54090963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).