1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea

C15H15ClN2O — CID 4577351

IUPAC1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C15H15ClN2O/c1-10-3-7-13(8-4-10)17-15(19)18-14-9-12(16)6-5-11(14)2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyDBWHWIPHLCYYDP-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.60
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea

1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea (PubChem CID 4577351) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
PubChem CID4577351
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C15H15ClN2O/c1-10-3-7-13(8-4-10)17-15(19)18-14-9-12(16)6-5-11(14)2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyDBWHWIPHLCYYDP-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

4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide
CID 17180530
3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate
CID 7657756
1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea
CID 168974118
1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859781
N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034457
1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 98000868
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea
CID 108869298
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea
CID 62103362
1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
CID 2983994
2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide
CID 39186247

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea (CID 4577351) is 1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2cc(Cl)ccc2C)cc1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea?
The InChIKey is DBWHWIPHLCYYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-3-7-13(8-4-10)17-15(19)18-14-9-12(16)6-5-11(14)2/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea?
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)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-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 4577351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).