1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea

C15H12Cl2N2O2 — CID 17283819

IUPAC1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2N2O2/c1-9(20)10-2-5-12(6-3-10)18-15(21)19-14-7-4-11(16)8-13(14)17/h2-8H,1H3,(H2,18,19,21)
InChIKeySZHRDOZASJIAIJ-UHFFFAOYSA-N
MW323.18 g/mol
LogP4.84
Rot. Bonds3

About 1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea

1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea (PubChem CID 17283819) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea
PubChem CID17283819
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC Name1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2N2O2/c1-9(20)10-2-5-12(6-3-10)18-15(21)19-14-7-4-11(16)8-13(14)17/h2-8H,1H3,(H2,18,19,21)
InChIKeySZHRDOZASJIAIJ-UHFFFAOYSA-N
XLogP4.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetylphenyl)-3-(2-bromo-5-chlorophenyl)urea
CID 81280665
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
1-(2,4-dichlorophenyl)-3-[4-(3-oxoprop-2-enoyl)phenyl]urea
CID 91358186
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 17270458
1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea
CID 61346467
methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate
CID 108992420
1-(2,4-dichlorophenyl)-3-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]urea
CID 51031087
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2,4-dichlorophenyl)propanamide
CID 19317129
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea (CID 17283819) is 1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea is CC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea?
The InChIKey is SZHRDOZASJIAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c1-9(20)10-2-5-12(6-3-10)18-15(21)19-14-7-4-11(16)8-13(14)17/h2-8H,1H3,(H2,18,19,21).
What are the key properties of 1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea?
1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea has a molecular weight of 323.18 g/mol, XLogP of 4.84, 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-(2,4-dichlorophenyl)urea is sourced from PubChem (CID 17283819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).