(3-bromo-4-fluorophenyl)methylurea

C8H8BrFN2O — CID 131036089

IUPAC(3-bromo-4-fluorophenyl)methylurea
SMILESNC(=O)NCc1ccc(F)c(Br)c1
InChIInChI=1S/C8H8BrFN2O/c9-6-3-5(1-2-7(6)10)4-12-8(11)13/h1-3H,4H2,(H3,11,12,13)
InChIKeySHLOANFDTJUCRU-UHFFFAOYSA-N
MW247.07 g/mol
LogP1.76
Rot. Bonds2

About (3-bromo-4-fluorophenyl)methylurea

(3-bromo-4-fluorophenyl)methylurea (PubChem CID 131036089) has the molecular formula C8H8BrFN2O and a molecular weight of 247.07 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)methylurea.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)methylurea
PubChem CID131036089
Molecular FormulaC8H8BrFN2O
Molecular Weight247.07 g/mol
Exact Mass245.98
IUPAC Name(3-bromo-4-fluorophenyl)methylurea
SMILESNC(=O)NCc1ccc(F)c(Br)c1
InChIInChI=1S/C8H8BrFN2O/c9-6-3-5(1-2-7(6)10)4-12-8(11)13/h1-3H,4H2,(H3,11,12,13)
InChIKeySHLOANFDTJUCRU-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromo-4-fluorophenyl)methylamino]ethylurea
CID 83111406
N-[(3-bromo-4-fluorophenyl)methyl]propanamide
CID 91448069
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499
methyl (2S)-2-[(3-bromo-4-fluorophenyl)methylamino]propanoate
CID 43723685
3-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106171977
2-[(3-bromo-4-fluorophenyl)methylamino]-3,3-dimethylbutanamide
CID 119124785
N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride
CID 119384307
2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide
CID 43398957
3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide
CID 103706738
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
CID 103707226
2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid
CID 43467343
(2S)-2-amino-3-(3-bromo-4-fluorophenyl)propanoic acid;hydrochloride
CID 53360787

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)methylurea?
The IUPAC name of (3-bromo-4-fluorophenyl)methylurea (CID 131036089) is (3-bromo-4-fluorophenyl)methylurea.
What is the SMILES notation for (3-bromo-4-fluorophenyl)methylurea?
The canonical SMILES for (3-bromo-4-fluorophenyl)methylurea is NC(=O)NCc1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)methylurea?
The InChIKey is SHLOANFDTJUCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2O/c9-6-3-5(1-2-7(6)10)4-12-8(11)13/h1-3H,4H2,(H3,11,12,13).
What are the key properties of (3-bromo-4-fluorophenyl)methylurea?
(3-bromo-4-fluorophenyl)methylurea has a molecular weight of 247.07 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)methylurea is sourced from PubChem (CID 131036089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).