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

C9H10BrN3O3 — CID 115370230

IUPAC[(4-bromo-2-methoxybenzoyl)amino]urea
SMILESCOc1cc(Br)ccc1C(=O)NNC(N)=O
InChIInChI=1S/C9H10BrN3O3/c1-16-7-4-5(10)2-3-6(7)8(14)12-13-9(11)15/h2-4H,1H3,(H,12,14)(H3,11,13,15)
InChIKeyGPMKXRYGZNJHMN-UHFFFAOYSA-N
MW288.10 g/mol
LogP0.77
Rot. Bonds2

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

[(4-bromo-2-methoxybenzoyl)amino]urea (PubChem CID 115370230) has the molecular formula C9H10BrN3O3 and a molecular weight of 288.10 g/mol. Its IUPAC name is [(4-bromo-2-methoxybenzoyl)amino]urea.

Molecular Properties

Compound Name[(4-bromo-2-methoxybenzoyl)amino]urea
PubChem CID115370230
Molecular FormulaC9H10BrN3O3
Molecular Weight288.10 g/mol
Exact Mass286.99
IUPAC Name[(4-bromo-2-methoxybenzoyl)amino]urea
SMILESCOc1cc(Br)ccc1C(=O)NNC(N)=O
InChIInChI=1S/C9H10BrN3O3/c1-16-7-4-5(10)2-3-6(7)8(14)12-13-9(11)15/h2-4H,1H3,(H,12,14)(H3,11,13,15)
InChIKeyGPMKXRYGZNJHMN-UHFFFAOYSA-N
XLogP0.77
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-acetyl-4-bromo-2-methoxybenzamide
CID 115369201
4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide
CID 83015811
4-bromo-2-methoxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 81339730
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
[(4-bromo-2-methoxybenzoyl)amino] 2,2-dimethylpropanoate
CID 146273207
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
CID 115368533
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
CID 115369513
4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide
CID 115409622
[(4-bromo-2-chlorobenzoyl)amino]urea
CID 63297620
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-2-methoxybenzamide
CID 113268416
4-amino-2-[(4-bromo-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 115368589

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-2-methoxybenzoyl)amino]urea?
The IUPAC name of [(4-bromo-2-methoxybenzoyl)amino]urea (CID 115370230) is [(4-bromo-2-methoxybenzoyl)amino]urea.
What is the SMILES notation for [(4-bromo-2-methoxybenzoyl)amino]urea?
The canonical SMILES for [(4-bromo-2-methoxybenzoyl)amino]urea is COc1cc(Br)ccc1C(=O)NNC(N)=O.
What is the InChIKey of [(4-bromo-2-methoxybenzoyl)amino]urea?
The InChIKey is GPMKXRYGZNJHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O3/c1-16-7-4-5(10)2-3-6(7)8(14)12-13-9(11)15/h2-4H,1H3,(H,12,14)(H3,11,13,15).
What are the key properties of [(4-bromo-2-methoxybenzoyl)amino]urea?
[(4-bromo-2-methoxybenzoyl)amino]urea has a molecular weight of 288.10 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-2-methoxybenzoyl)amino]urea is sourced from PubChem (CID 115370230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).