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

C15H15ClN2O — CID 108894172

IUPAC1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C15H15ClN2O/c1-10-5-3-4-6-13(10)17-15(19)18-14-8-7-12(16)9-11(14)2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyHINZSVZFDOZZJI-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.60
Rot. Bonds2

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

1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea (PubChem CID 108894172) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
PubChem CID108894172
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C15H15ClN2O/c1-10-5-3-4-6-13(10)17-15(19)18-14-8-7-12(16)9-11(14)2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyHINZSVZFDOZZJI-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-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207
1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea
CID 108991826
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
1-(4-chloro-2-methylphenyl)-3-pyridin-1-ium-1-ylurea
CID 22748959
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea
CID 61346467
1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
CID 5199743
1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea
CID 108868918
1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea
CID 108991844
1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea
CID 108910302

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea (CID 108894172) is 1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea?
The InChIKey is HINZSVZFDOZZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-5-3-4-6-13(10)17-15(19)18-14-8-7-12(16)9-11(14)2/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea?
1-(4-chloro-2-methylphenyl)-3-(2-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-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 108894172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).