1-[2-(3-bromophenyl)ethyl]-3-(2,5-dichlorophenyl)urea

C15H13BrCl2N2O — CID 108886240

IUPAC1-[2-(3-bromophenyl)ethyl]-3-(2,5-dichlorophenyl)urea
SMILESO=C(NCCc1cccc(Br)c1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13BrCl2N2O/c16-11-3-1-2-10(8-11)6-7-19-15(21)20-14-9-12(17)4-5-13(14)18/h1-5,8-9H,6-7H2,(H2,19,20,21)
InChIKeyBTJGWSOLVYZLEO-UHFFFAOYSA-N
MW388.09 g/mol
LogP5.12
Rot. Bonds4

About 1-[2-(3-bromophenyl)ethyl]-3-(2,5-dichlorophenyl)urea

1-[2-(3-bromophenyl)ethyl]-3-(2,5-dichlorophenyl)urea (PubChem CID 108886240) has the molecular formula C15H13BrCl2N2O and a molecular weight of 388.09 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)ethyl]-3-(2,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)ethyl]-3-(2,5-dichlorophenyl)urea
PubChem CID108886240
Molecular FormulaC15H13BrCl2N2O
Molecular Weight388.09 g/mol
Exact Mass385.96
IUPAC Name1-[2-(3-bromophenyl)ethyl]-3-(2,5-dichlorophenyl)urea
SMILESO=C(NCCc1cccc(Br)c1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13BrCl2N2O/c16-11-3-1-2-10(8-11)6-7-19-15(21)20-14-9-12(17)4-5-13(14)18/h1-5,8-9H,6-7H2,(H2,19,20,21)
InChIKeyBTJGWSOLVYZLEO-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

1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea
CID 108901812
1-(2-chloro-5-nitrophenyl)-3-[2-(3-chlorophenyl)ethyl]urea
CID 108901382
1-[2-(3-bromophenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108901668
1-(4-aminophenyl)-3-[2-(3-bromophenyl)ethyl]urea
CID 108897082
3-(3-bromophenyl)-N-(5-chloro-2-methylphenyl)propanamide
CID 2620987
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113098238
3-[2-(3-bromophenyl)ethylcarbamoylamino]benzoic acid
CID 108901553
3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346
1-(5-bromo-2-chlorophenyl)-3-propylurea
CID 55027920
1-(5-chloro-2-hydroxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900950
1-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)urea
CID 60969136

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)ethyl]-3-(2,5-dichlorophenyl)urea?
The IUPAC name of 1-[2-(3-bromophenyl)ethyl]-3-(2,5-dichlorophenyl)urea (CID 108886240) is 1-[2-(3-bromophenyl)ethyl]-3-(2,5-dichlorophenyl)urea.
What is the SMILES notation for 1-[2-(3-bromophenyl)ethyl]-3-(2,5-dichlorophenyl)urea?
The canonical SMILES for 1-[2-(3-bromophenyl)ethyl]-3-(2,5-dichlorophenyl)urea is O=C(NCCc1cccc(Br)c1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[2-(3-bromophenyl)ethyl]-3-(2,5-dichlorophenyl)urea?
The InChIKey is BTJGWSOLVYZLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O/c16-11-3-1-2-10(8-11)6-7-19-15(21)20-14-9-12(17)4-5-13(14)18/h1-5,8-9H,6-7H2,(H2,19,20,21).
What are the key properties of 1-[2-(3-bromophenyl)ethyl]-3-(2,5-dichlorophenyl)urea?
1-[2-(3-bromophenyl)ethyl]-3-(2,5-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-(3-bromophenyl)ethyl]-3-(2,5-dichlorophenyl)urea is sourced from PubChem (CID 108886240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).