1-(4-acetylphenyl)-3-(2-bromo-5-chlorophenyl)urea

C15H12BrClN2O2 — CID 81280665

IUPAC1-(4-acetylphenyl)-3-(2-bromo-5-chlorophenyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C15H12BrClN2O2/c1-9(20)10-2-5-12(6-3-10)18-15(21)19-14-8-11(17)4-7-13(14)16/h2-8H,1H3,(H2,18,19,21)
InChIKeyLJLZCQBBPDNZNR-UHFFFAOYSA-N
MW367.63 g/mol
LogP4.95
Rot. Bonds3

About 1-(4-acetylphenyl)-3-(2-bromo-5-chlorophenyl)urea

1-(4-acetylphenyl)-3-(2-bromo-5-chlorophenyl)urea (PubChem CID 81280665) has the molecular formula C15H12BrClN2O2 and a molecular weight of 367.63 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(2-bromo-5-chlorophenyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(2-bromo-5-chlorophenyl)urea
PubChem CID81280665
Molecular FormulaC15H12BrClN2O2
Molecular Weight367.63 g/mol
Exact Mass365.98
IUPAC Name1-(4-acetylphenyl)-3-(2-bromo-5-chlorophenyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C15H12BrClN2O2/c1-9(20)10-2-5-12(6-3-10)18-15(21)19-14-8-11(17)4-7-13(14)16/h2-8H,1H3,(H2,18,19,21)
InChIKeyLJLZCQBBPDNZNR-UHFFFAOYSA-N
XLogP4.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.63
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea
CID 17283819
1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea
CID 61345655
N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide
CID 103763178
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
N-(2-bromo-5-chlorophenyl)-2-chloropropanamide
CID 81264583
2-amino-N-(2-bromo-5-chlorophenyl)propanamide
CID 81270376
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
N-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108969771
1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 17270458
N-(2-bromo-5-chlorophenyl)-2-methylbutanamide
CID 81271698
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea
CID 61346467

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(2-bromo-5-chlorophenyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(2-bromo-5-chlorophenyl)urea (CID 81280665) is 1-(4-acetylphenyl)-3-(2-bromo-5-chlorophenyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(2-bromo-5-chlorophenyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(2-bromo-5-chlorophenyl)urea is CC(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Br)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(2-bromo-5-chlorophenyl)urea?
The InChIKey is LJLZCQBBPDNZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O2/c1-9(20)10-2-5-12(6-3-10)18-15(21)19-14-8-11(17)4-7-13(14)16/h2-8H,1H3,(H2,18,19,21).
What are the key properties of 1-(4-acetylphenyl)-3-(2-bromo-5-chlorophenyl)urea?
1-(4-acetylphenyl)-3-(2-bromo-5-chlorophenyl)urea has a molecular weight of 367.63 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(2-bromo-5-chlorophenyl)urea is sourced from PubChem (CID 81280665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).