1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea

C13H9BrCl2N2O — CID 108868832

IUPAC1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea
SMILESO=C(Nc1ccccc1Br)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H9BrCl2N2O/c14-8-4-1-2-7-11(8)17-13(19)18-12-9(15)5-3-6-10(12)16/h1-7H,(H2,17,18,19)
InChIKeyRNRQVUBEGKTJPL-UHFFFAOYSA-N
MW360.04 g/mol
LogP5.40
Rot. Bonds2

About 1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea

1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea (PubChem CID 108868832) has the molecular formula C13H9BrCl2N2O and a molecular weight of 360.04 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea
PubChem CID108868832
Molecular FormulaC13H9BrCl2N2O
Molecular Weight360.04 g/mol
Exact Mass357.93
IUPAC Name1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea
SMILESO=C(Nc1ccccc1Br)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H9BrCl2N2O/c14-8-4-1-2-7-11(8)17-13(19)18-12-9(15)5-3-6-10(12)16/h1-7H,(H2,17,18,19)
InChIKeyRNRQVUBEGKTJPL-UHFFFAOYSA-N
XLogP5.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.04
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea
CID 44721842
1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea
CID 23819618
1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea
CID 21184650
1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea
CID 108904832
1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea
CID 4994979
4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid
CID 61398747
(E)-N-(2-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide
CID 1001666
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid
CID 23512395
1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea
CID 4526657
N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968886
1-(2,6-dichlorophenyl)-3-methylurea
CID 3018146

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea?
The IUPAC name of 1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea (CID 108868832) is 1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea?
The canonical SMILES for 1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea is O=C(Nc1ccccc1Br)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea?
The InChIKey is RNRQVUBEGKTJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O/c14-8-4-1-2-7-11(8)17-13(19)18-12-9(15)5-3-6-10(12)16/h1-7H,(H2,17,18,19).
What are the key properties of 1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea?
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea has a molecular weight of 360.04 g/mol, XLogP of 5.40, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea is sourced from PubChem (CID 108868832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).