1-(3-bromophenyl)-3-(2-chlorophenyl)urea

C13H10BrClN2O — CID 43398005

IUPAC1-(3-bromophenyl)-3-(2-chlorophenyl)urea
SMILESO=C(Nc1cccc(Br)c1)Nc1ccccc1Cl
InChIInChI=1S/C13H10BrClN2O/c14-9-4-3-5-10(8-9)16-13(18)17-12-7-2-1-6-11(12)15/h1-8H,(H2,16,17,18)
InChIKeyBLHIWFQJAYRBLR-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.75
Rot. Bonds2

About 1-(3-bromophenyl)-3-(2-chlorophenyl)urea

1-(3-bromophenyl)-3-(2-chlorophenyl)urea (PubChem CID 43398005) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2-chlorophenyl)urea
PubChem CID43398005
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC Name1-(3-bromophenyl)-3-(2-chlorophenyl)urea
SMILESO=C(Nc1cccc(Br)c1)Nc1ccccc1Cl
InChIInChI=1S/C13H10BrClN2O/c14-9-4-3-5-10(8-9)16-13(18)17-12-7-2-1-6-11(12)15/h1-8H,(H2,16,17,18)
InChIKeyBLHIWFQJAYRBLR-UHFFFAOYSA-N
XLogP4.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate
CID 43404884
1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea
CID 63254522
1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea
CID 43544038
1-[3-chloro-2-(hydroxymethyl)phenyl]-3-(3,5-dibromophenyl)urea
CID 156854573
5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid
CID 62074134
1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea
CID 103480099
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide
CID 17252222
1-(3-bromophenyl)-3-(4-chloro-2-hydroxy-3-sulfamoylphenyl)urea
CID 70154985
[3-[(2-chlorophenyl)carbamoylamino]phenyl] N-methylcarbamate
CID 134123011
1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
CID 3468982

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2-chlorophenyl)urea?
The IUPAC name of 1-(3-bromophenyl)-3-(2-chlorophenyl)urea (CID 43398005) is 1-(3-bromophenyl)-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-(3-bromophenyl)-3-(2-chlorophenyl)urea is O=C(Nc1cccc(Br)c1)Nc1ccccc1Cl.
What is the InChIKey of 1-(3-bromophenyl)-3-(2-chlorophenyl)urea?
The InChIKey is BLHIWFQJAYRBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c14-9-4-3-5-10(8-9)16-13(18)17-12-7-2-1-6-11(12)15/h1-8H,(H2,16,17,18).
What are the key properties of 1-(3-bromophenyl)-3-(2-chlorophenyl)urea?
1-(3-bromophenyl)-3-(2-chlorophenyl)urea has a molecular weight of 325.59 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(2-chlorophenyl)urea is sourced from PubChem (CID 43398005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).