1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea

C15H15ClN2O — CID 769283

IUPAC1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C15H15ClN2O/c1-10-3-6-14(9-11(10)2)18-15(19)17-13-7-4-12(16)5-8-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyXVOLVPJEOJFLPG-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.60
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea

1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea (PubChem CID 769283) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
PubChem CID769283
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C15H15ClN2O/c1-10-3-6-14(9-11(10)2)18-15(19)17-13-7-4-12(16)5-8-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyXVOLVPJEOJFLPG-UHFFFAOYSA-N
XLogP4.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859781
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
1,3-bis[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]urea
CID 90145577
1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
CID 5096263
1,3-bis[3-(4-chloroanilino)sulfanyl-4-methylphenyl]urea
CID 144610213
1-[2-(4-chlorophenyl)sulfanylethyl]-3-(3,4-dimethylphenyl)urea
CID 3653715
1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea
CID 108895471
1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346481
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea
CID 110755160
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide
CID 39186247

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea (CID 769283) is 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1C.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea?
The InChIKey is XVOLVPJEOJFLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-3-6-14(9-11(10)2)18-15(19)17-13-7-4-12(16)5-8-13/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea?
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea has a molecular weight of 274.75 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 769283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).