[(4-bromo-2-chlorobenzoyl)amino]urea

C8H7BrClN3O2 — CID 63297620

IUPAC[(4-bromo-2-chlorobenzoyl)amino]urea
SMILESNC(=O)NNC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H7BrClN3O2/c9-4-1-2-5(6(10)3-4)7(14)12-13-8(11)15/h1-3H,(H,12,14)(H3,11,13,15)
InChIKeyGTOIPNHHIMJULS-UHFFFAOYSA-N
MW292.52 g/mol
LogP1.42
Rot. Bonds1

About [(4-bromo-2-chlorobenzoyl)amino]urea

[(4-bromo-2-chlorobenzoyl)amino]urea (PubChem CID 63297620) has the molecular formula C8H7BrClN3O2 and a molecular weight of 292.52 g/mol. Its IUPAC name is [(4-bromo-2-chlorobenzoyl)amino]urea.

Molecular Properties

Compound Name[(4-bromo-2-chlorobenzoyl)amino]urea
PubChem CID63297620
Molecular FormulaC8H7BrClN3O2
Molecular Weight292.52 g/mol
Exact Mass290.94
IUPAC Name[(4-bromo-2-chlorobenzoyl)amino]urea
SMILESNC(=O)NNC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H7BrClN3O2/c9-4-1-2-5(6(10)3-4)7(14)12-13-8(11)15/h1-3H,(H,12,14)(H3,11,13,15)
InChIKeyGTOIPNHHIMJULS-UHFFFAOYSA-N
XLogP1.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.52
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 35929301
[(4-bromo-2-methoxybenzoyl)amino]urea
CID 115370230
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide
CID 61401019
(4-bromo-2-chlorophenyl)urea
CID 60759349
4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide
CID 61118936
4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide
CID 107789911
N-(4-bromo-2-carbamothioylphenyl)-2,4-dichlorobenzamide
CID 82695357
[(2,4-dibromobenzoyl)amino]thiourea
CID 107941941
4-bromo-N-(5-bromo-2-pyridinyl)-2-chlorobenzamide
CID 61060806
4-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859840

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-2-chlorobenzoyl)amino]urea?
The IUPAC name of [(4-bromo-2-chlorobenzoyl)amino]urea (CID 63297620) is [(4-bromo-2-chlorobenzoyl)amino]urea.
What is the SMILES notation for [(4-bromo-2-chlorobenzoyl)amino]urea?
The canonical SMILES for [(4-bromo-2-chlorobenzoyl)amino]urea is NC(=O)NNC(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of [(4-bromo-2-chlorobenzoyl)amino]urea?
The InChIKey is GTOIPNHHIMJULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN3O2/c9-4-1-2-5(6(10)3-4)7(14)12-13-8(11)15/h1-3H,(H,12,14)(H3,11,13,15).
What are the key properties of [(4-bromo-2-chlorobenzoyl)amino]urea?
[(4-bromo-2-chlorobenzoyl)amino]urea has a molecular weight of 292.52 g/mol, XLogP of 1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-2-chlorobenzoyl)amino]urea is sourced from PubChem (CID 63297620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).