3-(2-bromophenyl)-1-cyclohexyl-1-methylurea

C14H19BrN2O — CID 108868725

IUPAC3-(2-bromophenyl)-1-cyclohexyl-1-methylurea
SMILESCN(C(=O)Nc1ccccc1Br)C1CCCCC1
InChIInChI=1S/C14H19BrN2O/c1-17(11-7-3-2-4-8-11)14(18)16-13-10-6-5-9-12(13)15/h5-6,9-11H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyPWEHZYAFRMFHFL-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.25
Rot. Bonds2

About 3-(2-bromophenyl)-1-cyclohexyl-1-methylurea

3-(2-bromophenyl)-1-cyclohexyl-1-methylurea (PubChem CID 108868725) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1-cyclohexyl-1-methylurea.

Molecular Properties

Compound Name3-(2-bromophenyl)-1-cyclohexyl-1-methylurea
PubChem CID108868725
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name3-(2-bromophenyl)-1-cyclohexyl-1-methylurea
SMILESCN(C(=O)Nc1ccccc1Br)C1CCCCC1
InChIInChI=1S/C14H19BrN2O/c1-17(11-7-3-2-4-8-11)14(18)16-13-10-6-5-9-12(13)15/h5-6,9-11H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyPWEHZYAFRMFHFL-UHFFFAOYSA-N
XLogP4.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1-cyclohexyl-1-methylurea?
The IUPAC name of 3-(2-bromophenyl)-1-cyclohexyl-1-methylurea (CID 108868725) is 3-(2-bromophenyl)-1-cyclohexyl-1-methylurea.
What is the SMILES notation for 3-(2-bromophenyl)-1-cyclohexyl-1-methylurea?
The canonical SMILES for 3-(2-bromophenyl)-1-cyclohexyl-1-methylurea is CN(C(=O)Nc1ccccc1Br)C1CCCCC1.
What is the InChIKey of 3-(2-bromophenyl)-1-cyclohexyl-1-methylurea?
The InChIKey is PWEHZYAFRMFHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-17(11-7-3-2-4-8-11)14(18)16-13-10-6-5-9-12(13)15/h5-6,9-11H,2-4,7-8H2,1H3,(H,16,18).
What are the key properties of 3-(2-bromophenyl)-1-cyclohexyl-1-methylurea?
3-(2-bromophenyl)-1-cyclohexyl-1-methylurea has a molecular weight of 311.22 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1-cyclohexyl-1-methylurea is sourced from PubChem (CID 108868725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).