1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea

C14H17BrN2O — CID 108912362

IUPAC1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea
SMILESO=C(NC=C1CCCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O/c15-12-6-8-13(9-7-12)17-14(18)16-10-11-4-2-1-3-5-11/h6-10H,1-5H2,(H2,16,17,18)
InChIKeyBOEPMLKIBWYPBD-UHFFFAOYSA-N
MW309.21 g/mol
LogP4.42
Rot. Bonds2

About 1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea

1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea (PubChem CID 108912362) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea
PubChem CID108912362
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea
SMILESO=C(NC=C1CCCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O/c15-12-6-8-13(9-7-12)17-14(18)16-10-11-4-2-1-3-5-11/h6-10H,1-5H2,(H2,16,17,18)
InChIKeyBOEPMLKIBWYPBD-UHFFFAOYSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromophenyl)-3-(cyclohexylidenemethyl)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-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea
CID 108913432
2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid
CID 108912522
1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
CID 108912711
1-(5-bromopyrimidin-2-yl)-3-(cyclohexylidenemethyl)urea
CID 108912714
1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea
CID 108912618
1-(cyclopentylidenemethyl)-3-(3-methylphenyl)urea
CID 108913541
1-(4-bromophenyl)-3-(3,4-dihydro-2H-pyrrol-5-yl)urea
CID 21406183
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
1-(4-ethylphenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913217
1-(4-iodophenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913332
1-(4-bromophenyl)-3-pyridin-4-ylurea
CID 677050
2-[4-(oxan-4-ylidenemethylcarbamoylamino)phenyl]acetic acid
CID 108913213

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea (CID 108912362) is 1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea is O=C(NC=C1CCCCC1)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea?
The InChIKey is BOEPMLKIBWYPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-12-6-8-13(9-7-12)17-14(18)16-10-11-4-2-1-3-5-11/h6-10H,1-5H2,(H2,16,17,18).
What are the key properties of 1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea?
1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea has a molecular weight of 309.21 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea is sourced from PubChem (CID 108912362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).