1-(3-chlorophenyl)-3-(3,5-dimethylphenyl)urea

C15H15ClN2O — CID 734384

IUPAC1-(3-chlorophenyl)-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C15H15ClN2O/c1-10-6-11(2)8-14(7-10)18-15(19)17-13-5-3-4-12(16)9-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyDMAHKSZZJJTIQZ-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.60
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(3,5-dimethylphenyl)urea

1-(3-chlorophenyl)-3-(3,5-dimethylphenyl)urea (PubChem CID 734384) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3,5-dimethylphenyl)urea
PubChem CID734384
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name1-(3-chlorophenyl)-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C15H15ClN2O/c1-10-6-11(2)8-14(7-10)18-15(19)17-13-5-3-4-12(16)9-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyDMAHKSZZJJTIQZ-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

Chlortoluron
CID 27375
Halocarban
CID 9719
1-(3-Chloro-4-methylphenyl)-3-methylurea
CID 30967
N-(3-Chlorophenyl)-N'-(4-chlorophenyl)urea
CID 791964
Flucofuron
CID 67788
1-(3-Chlorophenyl)-3-phenylurea
CID 295366
N-(4-Chlorobenzyl)-N'-phenylurea
CID 4150009
1,3-Bis(3-chlorophenyl)urea
CID 139410
1-(3-Chloro-para-tolyl)-urea
CID 25741
1-(3-Chlorophenyl)-3-(3-fluorophenyl)urea
CID 266468
1-Benzyl-3-(2,5-dichlorophenyl)urea
CID 234245
1-(3,5-Dichloro-phenyl)-3-(3-trifluoromethyl-phenyl)-urea
CID 4163404

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(3,5-dimethylphenyl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(3,5-dimethylphenyl)urea (CID 734384) is 1-(3-chlorophenyl)-3-(3,5-dimethylphenyl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3,5-dimethylphenyl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3,5-dimethylphenyl)urea is Cc1cc(C)cc(NC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3,5-dimethylphenyl)urea?
The InChIKey is DMAHKSZZJJTIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-6-11(2)8-14(7-10)18-15(19)17-13-5-3-4-12(16)9-13/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-chlorophenyl)-3-(3,5-dimethylphenyl)urea?
1-(3-chlorophenyl)-3-(3,5-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-(3-chlorophenyl)-3-(3,5-dimethylphenyl)urea is sourced from PubChem (CID 734384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).