1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea

C14H18Cl2N2O — CID 4200063

IUPAC1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea
SMILESCN(C(=O)Nc1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C14H18Cl2N2O/c1-18(11-5-3-2-4-6-11)14(19)17-13-8-7-10(15)9-12(13)16/h7-9,11H,2-6H2,1H3,(H,17,19)
InChIKeyCLRALXHUKRKQRH-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.79
Rot. Bonds2

About 1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea

1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea (PubChem CID 4200063) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea
PubChem CID4200063
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea
SMILESCN(C(=O)Nc1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C14H18Cl2N2O/c1-18(11-5-3-2-4-6-11)14(19)17-13-8-7-10(15)9-12(13)16/h7-9,11H,2-6H2,1H3,(H,17,19)
InChIKeyCLRALXHUKRKQRH-UHFFFAOYSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-dicyclohexyl-3-(2,4-dichlorophenyl)urea
CID 5047635
5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid
CID 61189598
3-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 108989449
2-[acetyl(cyclohexyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 113159584
1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 4089734
2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid
CID 45267881
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
N-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503660
1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 69479184
3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea
CID 118985035
1-cyclohexyl-3-(2-iodophenyl)-1-methylurea
CID 108868896
3-(2-bromophenyl)-1-cyclohexyl-1-methylurea
CID 108868725

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea?
The IUPAC name of 1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea (CID 4200063) is 1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea.
What is the SMILES notation for 1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea?
The canonical SMILES for 1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea is CN(C(=O)Nc1ccc(Cl)cc1Cl)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea?
The InChIKey is CLRALXHUKRKQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-18(11-5-3-2-4-6-11)14(19)17-13-8-7-10(15)9-12(13)16/h7-9,11H,2-6H2,1H3,(H,17,19).
What are the key properties of 1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea?
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea has a molecular weight of 301.22 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea is sourced from PubChem (CID 4200063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).