1-benzyl-1-(2-bromophenyl)urea

C14H13BrN2O — CID 102405499

IUPAC1-benzyl-1-(2-bromophenyl)urea
SMILESNC(=O)N(Cc1ccccc1)c1ccccc1Br
InChIInChI=1S/C14H13BrN2O/c15-12-8-4-5-9-13(12)17(14(16)18)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,18)
InChIKeyLHOQJCZZPMDUNK-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.53
Rot. Bonds3

About 1-benzyl-1-(2-bromophenyl)urea

1-benzyl-1-(2-bromophenyl)urea (PubChem CID 102405499) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 1-benzyl-1-(2-bromophenyl)urea.

Molecular Properties

Compound Name1-benzyl-1-(2-bromophenyl)urea
PubChem CID102405499
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name1-benzyl-1-(2-bromophenyl)urea
SMILESNC(=O)N(Cc1ccccc1)c1ccccc1Br
InChIInChI=1S/C14H13BrN2O/c15-12-8-4-5-9-13(12)17(14(16)18)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,18)
InChIKeyLHOQJCZZPMDUNK-UHFFFAOYSA-N
XLogP3.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-(2-bromophenyl)-4-oxobutanamide
CID 122384723
1-(4-aminophenyl)-1-benzylurea
CID 154248103
1-benzyl-1-chlorourea
CID 23442758
N-benzoyl-N-(2-bromophenyl)benzamide
CID 10595916
1-benzyl-1-[2-[(4-benzylpiperidin-1-yl)methyl]phenyl]urea
CID 70109355
benzyl-(2-fluorophenyl)carbamic acid
CID 67213416
(4-aminophenyl)-benzylcarbamic acid
CID 69046621
1-benzyl-1-phenylmethoxyurea
CID 22444379
N-benzyl-N-(2-bromophenyl)-5-methoxyindole-1-carboxamide
CID 102348592
(2-bromophenyl)-(4-nitrobutyl)carbamic acid
CID 163525327
N-(2-bromophenyl)-N-methyl-3-phenylpropanamide
CID 66744699
benzyl(bromo)carbamic acid
CID 87217964

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(2-bromophenyl)urea?
The IUPAC name of 1-benzyl-1-(2-bromophenyl)urea (CID 102405499) is 1-benzyl-1-(2-bromophenyl)urea.
What is the SMILES notation for 1-benzyl-1-(2-bromophenyl)urea?
The canonical SMILES for 1-benzyl-1-(2-bromophenyl)urea is NC(=O)N(Cc1ccccc1)c1ccccc1Br.
What is the InChIKey of 1-benzyl-1-(2-bromophenyl)urea?
The InChIKey is LHOQJCZZPMDUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c15-12-8-4-5-9-13(12)17(14(16)18)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,18).
What are the key properties of 1-benzyl-1-(2-bromophenyl)urea?
1-benzyl-1-(2-bromophenyl)urea has a molecular weight of 305.18 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(2-bromophenyl)urea is sourced from PubChem (CID 102405499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).