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

C15H15ClN2O — CID 46860275

IUPAC1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C15H15ClN2O/c1-10-3-6-12(7-4-10)17-15(19)18-14-8-5-11(2)9-13(14)16/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyHFTZBJIFLRQTPV-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.60
Rot. Bonds2

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

1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea (PubChem CID 46860275) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
PubChem CID46860275
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C15H15ClN2O/c1-10-3-6-12(7-4-10)17-15(19)18-14-8-5-11(2)9-13(14)16/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyHFTZBJIFLRQTPV-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-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea
CID 64787940
1-(2-chloro-4-methylphenyl)-3-ethylurea
CID 21161481
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
1-(2-chloro-4-methylphenyl)-3-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]urea
CID 122316271
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
1-(2-chloro-4-methylphenyl)-3-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]urea
CID 122287231
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide
CID 43146433
1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea
CID 82862192
1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea
CID 43551396
1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea
CID 17283819

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea (CID 46860275) is 1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(C)cc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea?
The InChIKey is HFTZBJIFLRQTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-3-6-12(7-4-10)17-15(19)18-14-8-5-11(2)9-13(14)16/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea?
1-(2-chloro-4-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-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 46860275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).