1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea

C16H15ClN2O2 — CID 61346467

IUPAC1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C16H15ClN2O2/c1-10-8-13(17)6-7-15(10)19-16(21)18-14-5-3-4-12(9-14)11(2)20/h3-9H,1-2H3,(H2,18,19,21)
InChIKeyYLDFREYKVVHXMG-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.50
Rot. Bonds3

About 1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea

1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea (PubChem CID 61346467) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea
PubChem CID61346467
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C16H15ClN2O2/c1-10-8-13(17)6-7-15(10)19-16(21)18-14-5-3-4-12(9-14)11(2)20/h3-9H,1-2H3,(H2,18,19,21)
InChIKeyYLDFREYKVVHXMG-UHFFFAOYSA-N
XLogP4.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038513
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109128908
methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate
CID 108991298
1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea
CID 61345864
methyl 3-[[3-(4-chloro-2-methylanilino)-3-oxopropanoyl]amino]benzoate
CID 108955199
1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108991665
N-(3-acetylphenyl)-2-(4-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109337269
1-(3-acetylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886351
1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea
CID 17283819
1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea
CID 108910302
methyl 3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoylamino]benzoate
CID 108992359

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea (CID 61346467) is 1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea is CC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2C)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea?
The InChIKey is YLDFREYKVVHXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-10-8-13(17)6-7-15(10)19-16(21)18-14-5-3-4-12(9-14)11(2)20/h3-9H,1-2H3,(H2,18,19,21).
What are the key properties of 1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea?
1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea has a molecular weight of 302.76 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea is sourced from PubChem (CID 61346467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).