1,1-bis(4-bromophenyl)urea;hydrochloride

C13H11Br2ClN2O — CID 172731667

IUPAC1,1-bis(4-bromophenyl)urea;hydrochloride
SMILESCl.NC(=O)N(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C13H10Br2N2O.ClH/c14-9-1-5-11(6-2-9)17(13(16)18)12-7-3-10(15)4-8-12;/h1-8H,(H2,16,18);1H
InChIKeyHWMBWEFSTFJHNU-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.85
Rot. Bonds2

About 1,1-bis(4-bromophenyl)urea;hydrochloride

1,1-bis(4-bromophenyl)urea;hydrochloride (PubChem CID 172731667) has the molecular formula C13H11Br2ClN2O and a molecular weight of 406.51 g/mol. Its IUPAC name is 1,1-bis(4-bromophenyl)urea;hydrochloride.

Molecular Properties

Compound Name1,1-bis(4-bromophenyl)urea;hydrochloride
PubChem CID172731667
Molecular FormulaC13H11Br2ClN2O
Molecular Weight406.51 g/mol
Exact Mass403.89
IUPAC Name1,1-bis(4-bromophenyl)urea;hydrochloride
SMILESCl.NC(=O)N(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C13H10Br2N2O.ClH/c14-9-1-5-11(6-2-9)17(13(16)18)12-7-3-10(15)4-8-12;/h1-8H,(H2,16,18);1H
InChIKeyHWMBWEFSTFJHNU-UHFFFAOYSA-N
XLogP4.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-phenyl-1-(4-phenylphenyl)urea
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1-(4-formylphenyl)-1-phenylurea
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N'-(4-bromophenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide
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1-(3,4-difluorophenyl)-1-(4-fluorophenyl)urea
CID 140970670
N-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 177034589
1-[(4-bromophenyl)methyl]-1-hydroxyurea
CID 19780436
4-bromo-N-(4-bromophenyl)-N-penta-1,3-dien-3-ylaniline
CID 123816813
1-[4-(aminomethyl)phenyl]-1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]urea
CID 174567026
N-(4-bromophenyl)-3,3-difluoropropanehydrazide
CID 175715890

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-bromophenyl)urea;hydrochloride?
The IUPAC name of 1,1-bis(4-bromophenyl)urea;hydrochloride (CID 172731667) is 1,1-bis(4-bromophenyl)urea;hydrochloride.
What is the SMILES notation for 1,1-bis(4-bromophenyl)urea;hydrochloride?
The canonical SMILES for 1,1-bis(4-bromophenyl)urea;hydrochloride is Cl.NC(=O)N(c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1,1-bis(4-bromophenyl)urea;hydrochloride?
The InChIKey is HWMBWEFSTFJHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O.ClH/c14-9-1-5-11(6-2-9)17(13(16)18)12-7-3-10(15)4-8-12;/h1-8H,(H2,16,18);1H.
What are the key properties of 1,1-bis(4-bromophenyl)urea;hydrochloride?
1,1-bis(4-bromophenyl)urea;hydrochloride has a molecular weight of 406.51 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-bromophenyl)urea;hydrochloride is sourced from PubChem (CID 172731667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).