1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea

C15H13BrCl2N2O — CID 108902238

IUPAC1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea
SMILESO=C(NCCc1ccc(Br)cc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H13BrCl2N2O/c16-11-6-4-10(5-7-11)8-9-19-15(21)20-13-3-1-2-12(17)14(13)18/h1-7H,8-9H2,(H2,19,20,21)
InChIKeyOJCVWRPJUTVYFW-UHFFFAOYSA-N
MW388.09 g/mol
LogP5.12
Rot. Bonds4

About 1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea

1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea (PubChem CID 108902238) has the molecular formula C15H13BrCl2N2O and a molecular weight of 388.09 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea
PubChem CID108902238
Molecular FormulaC15H13BrCl2N2O
Molecular Weight388.09 g/mol
Exact Mass385.96
IUPAC Name1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea
SMILESO=C(NCCc1ccc(Br)cc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H13BrCl2N2O/c16-11-6-4-10(5-7-11)8-9-19-15(21)20-13-3-1-2-12(17)14(13)18/h1-7H,8-9H2,(H2,19,20,21)
InChIKeyOJCVWRPJUTVYFW-UHFFFAOYSA-N
XLogP5.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.09
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-N-(2,3-dichlorophenyl)acetamide
CID 1346170
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 108891823
N'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948495
1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea
CID 978037
N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide
CID 47032142
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
1-(2,3-dichlorophenyl)-3-prop-2-ynylurea
CID 97180602
1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 108902232
N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide
CID 109027992
1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea
CID 108899597
1-[2-(3-bromophenyl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 108886240

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea (CID 108902238) is 1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea is O=C(NCCc1ccc(Br)cc1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea?
The InChIKey is OJCVWRPJUTVYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O/c16-11-6-4-10(5-7-11)8-9-19-15(21)20-13-3-1-2-12(17)14(13)18/h1-7H,8-9H2,(H2,19,20,21).
What are the key properties of 1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea?
1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea has a molecular weight of 388.09 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea is sourced from PubChem (CID 108902238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).