[4-[1-(2-bromo-3-chloroanilino)ethyl]phenyl]urea

C15H15BrClN3O — CID 103478127

IUPAC[4-[1-(2-bromo-3-chloroanilino)ethyl]phenyl]urea
SMILESCC(Nc1cccc(Cl)c1Br)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H15BrClN3O/c1-9(19-13-4-2-3-12(17)14(13)16)10-5-7-11(8-6-10)20-15(18)21/h2-9,19H,1H3,(H3,18,20,21)
InChIKeyGSPTXBGNUYKKGG-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.77
Rot. Bonds4

About [4-[1-(2-bromo-3-chloroanilino)ethyl]phenyl]urea

[4-[1-(2-bromo-3-chloroanilino)ethyl]phenyl]urea (PubChem CID 103478127) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is [4-[1-(2-bromo-3-chloroanilino)ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-(2-bromo-3-chloroanilino)ethyl]phenyl]urea
PubChem CID103478127
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC Name[4-[1-(2-bromo-3-chloroanilino)ethyl]phenyl]urea
SMILESCC(Nc1cccc(Cl)c1Br)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H15BrClN3O/c1-9(19-13-4-2-3-12(17)14(13)16)10-5-7-11(8-6-10)20-15(18)21/h2-9,19H,1H3,(H3,18,20,21)
InChIKeyGSPTXBGNUYKKGG-UHFFFAOYSA-N
XLogP4.77
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[1-(2-fluoroanilino)ethyl]phenyl]urea
CID 43763368
[4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea
CID 43774024
3-[1-(2-bromo-3-chloroanilino)ethyl]phenol
CID 103477986
2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 103478545
[3-[1-(4-chlorophenyl)ethylamino]phenyl]urea
CID 43744548
2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 103477852
[4-[1-(3-bromo-5-methylanilino)ethyl]phenyl]urea
CID 104938370
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline
CID 103478235
2-bromo-3-chloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 103478542
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide
CID 107903500
2-bromo-3-chloro-N-propan-2-ylaniline
CID 103478632
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-bromo-3-chloroanilino)ethyl]phenyl]urea?
The IUPAC name of [4-[1-(2-bromo-3-chloroanilino)ethyl]phenyl]urea (CID 103478127) is [4-[1-(2-bromo-3-chloroanilino)ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-(2-bromo-3-chloroanilino)ethyl]phenyl]urea?
The canonical SMILES for [4-[1-(2-bromo-3-chloroanilino)ethyl]phenyl]urea is CC(Nc1cccc(Cl)c1Br)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-(2-bromo-3-chloroanilino)ethyl]phenyl]urea?
The InChIKey is GSPTXBGNUYKKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-9(19-13-4-2-3-12(17)14(13)16)10-5-7-11(8-6-10)20-15(18)21/h2-9,19H,1H3,(H3,18,20,21).
What are the key properties of [4-[1-(2-bromo-3-chloroanilino)ethyl]phenyl]urea?
[4-[1-(2-bromo-3-chloroanilino)ethyl]phenyl]urea has a molecular weight of 368.66 g/mol, XLogP of 4.77, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-bromo-3-chloroanilino)ethyl]phenyl]urea is sourced from PubChem (CID 103478127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).