1-benzyl-3-(5-bromo-2-fluorophenyl)urea

C14H12BrFN2O — CID 103658658

IUPAC1-benzyl-3-(5-bromo-2-fluorophenyl)urea
SMILESO=C(NCc1ccccc1)Nc1cc(Br)ccc1F
InChIInChI=1S/C14H12BrFN2O/c15-11-6-7-12(16)13(8-11)18-14(19)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,18,19)
InChIKeyLZIDPVZFJUKVQV-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.91
Rot. Bonds3

About 1-benzyl-3-(5-bromo-2-fluorophenyl)urea

1-benzyl-3-(5-bromo-2-fluorophenyl)urea (PubChem CID 103658658) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 1-benzyl-3-(5-bromo-2-fluorophenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(5-bromo-2-fluorophenyl)urea
PubChem CID103658658
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name1-benzyl-3-(5-bromo-2-fluorophenyl)urea
SMILESO=C(NCc1ccccc1)Nc1cc(Br)ccc1F
InChIInChI=1S/C14H12BrFN2O/c15-11-6-7-12(16)13(8-11)18-14(19)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,18,19)
InChIKeyLZIDPVZFJUKVQV-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea
CID 15645616
1-benzyl-3-(2-bromo-5-chlorophenyl)urea
CID 103786178
1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 116654301
benzyl N-(5-bromo-2-fluorophenyl)carbamate
CID 58686891
1-(4-bromo-2-fluorophenyl)-3-(pyridin-4-ylmethyl)urea
CID 47032119
1-[(4-bromophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 60969569
4-[(5-bromo-2-fluorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114007198
1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-phenylphenyl)urea
CID 74228460
1-(2-aminophenyl)-3-benzylurea
CID 86135193
1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 60545784
1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea
CID 108901812
1-(4-bromo-2-fluorophenyl)-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 51290448

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(5-bromo-2-fluorophenyl)urea?
The IUPAC name of 1-benzyl-3-(5-bromo-2-fluorophenyl)urea (CID 103658658) is 1-benzyl-3-(5-bromo-2-fluorophenyl)urea.
What is the SMILES notation for 1-benzyl-3-(5-bromo-2-fluorophenyl)urea?
The canonical SMILES for 1-benzyl-3-(5-bromo-2-fluorophenyl)urea is O=C(NCc1ccccc1)Nc1cc(Br)ccc1F.
What is the InChIKey of 1-benzyl-3-(5-bromo-2-fluorophenyl)urea?
The InChIKey is LZIDPVZFJUKVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c15-11-6-7-12(16)13(8-11)18-14(19)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,18,19).
What are the key properties of 1-benzyl-3-(5-bromo-2-fluorophenyl)urea?
1-benzyl-3-(5-bromo-2-fluorophenyl)urea has a molecular weight of 323.17 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(5-bromo-2-fluorophenyl)urea is sourced from PubChem (CID 103658658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).