1-[(4-bromo-2-methylphenyl)methyl]-3-(4-hydroxycyclohexyl)urea

C15H21BrN2O2 — CID 75361672

IUPAC1-[(4-bromo-2-methylphenyl)methyl]-3-(4-hydroxycyclohexyl)urea
SMILESCc1cc(Br)ccc1CNC(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H21BrN2O2/c1-10-8-12(16)3-2-11(10)9-17-15(20)18-13-4-6-14(19)7-5-13/h2-3,8,13-14,19H,4-7,9H2,1H3,(H2,17,18,20)
InChIKeyPLHHVUSOOBWJEN-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.86
Rot. Bonds3

About 1-[(4-bromo-2-methylphenyl)methyl]-3-(4-hydroxycyclohexyl)urea

1-[(4-bromo-2-methylphenyl)methyl]-3-(4-hydroxycyclohexyl)urea (PubChem CID 75361672) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-[(4-bromo-2-methylphenyl)methyl]-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[(4-bromo-2-methylphenyl)methyl]-3-(4-hydroxycyclohexyl)urea
PubChem CID75361672
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name1-[(4-bromo-2-methylphenyl)methyl]-3-(4-hydroxycyclohexyl)urea
SMILESCc1cc(Br)ccc1CNC(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H21BrN2O2/c1-10-8-12(16)3-2-11(10)9-17-15(20)18-13-4-6-14(19)7-5-13/h2-3,8,13-14,19H,4-7,9H2,1H3,(H2,17,18,20)
InChIKeyPLHHVUSOOBWJEN-UHFFFAOYSA-N
XLogP2.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(4-bromo-2-methylphenyl)methyl]-3-(4-hydroxycyclohexyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-Bromo-2-methylphenyl)methyl]-3-(3-hydroxypropyl)urea
CID 99824131
1-[(2-Bromo-3-methylphenyl)methyl]-3-(4-hydroxycyclohexyl)urea
CID 99829734
1-[(1S)-1-(4-bromophenyl)ethyl]-3-(oxan-4-ylmethyl)urea
CID 121588567
3-[[5-bromo-2-[(5R)-5-(difluoromethoxy)-2,2-dimethylheptyl]phenyl]methyl]-1-(hydroxymethyl)-1-methylurea
CID 70219761
1-[(5-Bromo-2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)urea
CID 47186647
1-[(3-Bromo-5-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)urea
CID 47324101
1-[(2-Bromo-5-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)urea
CID 47328093
1-[(4-Bromo-2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)urea
CID 56787610
1-[2-(5-Bromo-2-fluorophenyl)ethyl]-3-(5-hydroxypentan-2-yl)urea
CID 71921611
1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-[(2S)-5-hydroxypentan-2-yl]urea
CID 97054706
1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-[(2R)-5-hydroxypentan-2-yl]urea
CID 97054707
1-[(5-bromo-2-fluorophenyl)methyl]-3-[(2R)-4-hydroxybutan-2-yl]urea
CID 109621539

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-methylphenyl)methyl]-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-[(4-bromo-2-methylphenyl)methyl]-3-(4-hydroxycyclohexyl)urea (CID 75361672) is 1-[(4-bromo-2-methylphenyl)methyl]-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[(4-bromo-2-methylphenyl)methyl]-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[(4-bromo-2-methylphenyl)methyl]-3-(4-hydroxycyclohexyl)urea is Cc1cc(Br)ccc1CNC(=O)NC1CCC(O)CC1.
What is the InChIKey of 1-[(4-bromo-2-methylphenyl)methyl]-3-(4-hydroxycyclohexyl)urea?
The InChIKey is PLHHVUSOOBWJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10-8-12(16)3-2-11(10)9-17-15(20)18-13-4-6-14(19)7-5-13/h2-3,8,13-14,19H,4-7,9H2,1H3,(H2,17,18,20).
What are the key properties of 1-[(4-bromo-2-methylphenyl)methyl]-3-(4-hydroxycyclohexyl)urea?
1-[(4-bromo-2-methylphenyl)methyl]-3-(4-hydroxycyclohexyl)urea has a molecular weight of 341.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-methylphenyl)methyl]-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 75361672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).