1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclohexylurea

C14H19BrN4O2 — CID 107800939

IUPAC1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclohexylurea
SMILESN/C(=N/O)c1ccc(Br)cc1NC(=O)NC1CCCCC1
InChIInChI=1S/C14H19BrN4O2/c15-9-6-7-11(13(16)19-21)12(8-9)18-14(20)17-10-4-2-1-3-5-10/h6-8,10,21H,1-5H2,(H2,16,19)(H2,17,18,20)
InChIKeyJHSGKOCIIGMFHZ-UHFFFAOYSA-N
MW355.24 g/mol
LogP3.00
Rot. Bonds3

About 1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclohexylurea

1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclohexylurea (PubChem CID 107800939) has the molecular formula C14H19BrN4O2 and a molecular weight of 355.24 g/mol. Its IUPAC name is 1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclohexylurea
PubChem CID107800939
Molecular FormulaC14H19BrN4O2
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC Name1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclohexylurea
SMILESN/C(=N/O)c1ccc(Br)cc1NC(=O)NC1CCCCC1
InChIInChI=1S/C14H19BrN4O2/c15-9-6-7-11(13(16)19-21)12(8-9)18-14(20)17-10-4-2-1-3-5-10/h6-8,10,21H,1-5H2,(H2,16,19)(H2,17,18,20)
InChIKeyJHSGKOCIIGMFHZ-UHFFFAOYSA-N
XLogP3.00
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclohexylurea 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-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclopropylurea
CID 114002745
1-[4-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclopentylurea
CID 82703350
N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylcyclohexane-1-carboxamide
CID 107800722
N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107800714
1-cyclobutyl-3-(2,4-dibromophenyl)urea
CID 115617878
1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 107800938
4-amino-2-(cyclohexylcarbamoylamino)benzoic acid
CID 63116079
3-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1-ethyl-1-methylurea
CID 107800929
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide
CID 107800560
N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-3-methylsulfanylpropanamide
CID 107800712
1-(4-amino-2-bromophenyl)-3-cyclohexylurea
CID 43551414

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclohexylurea?
The IUPAC name of 1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclohexylurea (CID 107800939) is 1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclohexylurea?
The canonical SMILES for 1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclohexylurea is N/C(=N/O)c1ccc(Br)cc1NC(=O)NC1CCCCC1.
What is the InChIKey of 1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclohexylurea?
The InChIKey is JHSGKOCIIGMFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O2/c15-9-6-7-11(13(16)19-21)12(8-9)18-14(20)17-10-4-2-1-3-5-10/h6-8,10,21H,1-5H2,(H2,16,19)(H2,17,18,20).
What are the key properties of 1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclohexylurea?
1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclohexylurea has a molecular weight of 355.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclohexylurea is sourced from PubChem (CID 107800939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).