1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea

C10H12BrFN2O — CID 106441619

IUPAC1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea
SMILESCN(CCBr)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H12BrFN2O/c1-14(7-6-11)10(15)13-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,15)
InChIKeyODCIUVKEVLGXMI-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.68
Rot. Bonds3

About 1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea

1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea (PubChem CID 106441619) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea
PubChem CID106441619
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea
SMILESCN(CCBr)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H12BrFN2O/c1-14(7-6-11)10(15)13-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,15)
InChIKeyODCIUVKEVLGXMI-UHFFFAOYSA-N
XLogP2.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloroethyl)-3-(4-fluorophenyl)-1-methylurea
CID 106441663
3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea
CID 27209701
3-(4-fluorophenyl)-1-methyl-1-(2-piperidin-4-ylethyl)urea
CID 60913033
1-(3-bromopropyl)-1-methyl-3-phenylurea
CID 106441527
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
CID 134121107
3-(3-acetylphenyl)-1-(2-bromoethyl)-1-methylurea
CID 106441584
ethyl 2-[(4-fluorophenyl)carbamoyl-methylamino]acetate
CID 47981222
ethane;1-methyl-3-(4-methylphenyl)-1-propylurea
CID 142207328
3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 27868223
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-(4-fluorophenyl)-1-methylurea
CID 54991791
3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629819
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 27869376

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea?
The IUPAC name of 1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea (CID 106441619) is 1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea.
What is the SMILES notation for 1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea?
The canonical SMILES for 1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea is CN(CCBr)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea?
The InChIKey is ODCIUVKEVLGXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-14(7-6-11)10(15)13-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,15).
What are the key properties of 1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea?
1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea has a molecular weight of 275.12 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea is sourced from PubChem (CID 106441619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).