benzoyl-(bromoamino)carbamic acid

C8H7BrN2O3 — CID 126754569

IUPACbenzoyl-(bromoamino)carbamic acid
SMILESO=C(O)N(NBr)C(=O)c1ccccc1
InChIInChI=1S/C8H7BrN2O3/c9-10-11(8(13)14)7(12)6-4-2-1-3-5-6/h1-5,10H,(H,13,14)
InChIKeyWEFKLLRPEQKGRS-UHFFFAOYSA-N
MW259.06 g/mol
LogP1.62
Rot. Bonds2

About benzoyl-(bromoamino)carbamic acid

benzoyl-(bromoamino)carbamic acid (PubChem CID 126754569) has the molecular formula C8H7BrN2O3 and a molecular weight of 259.06 g/mol. Its IUPAC name is benzoyl-(bromoamino)carbamic acid.

Molecular Properties

Compound Namebenzoyl-(bromoamino)carbamic acid
PubChem CID126754569
Molecular FormulaC8H7BrN2O3
Molecular Weight259.06 g/mol
Exact Mass257.96
IUPAC Namebenzoyl-(bromoamino)carbamic acid
SMILESO=C(O)N(NBr)C(=O)c1ccccc1
InChIInChI=1S/C8H7BrN2O3/c9-10-11(8(13)14)7(12)6-4-2-1-3-5-6/h1-5,10H,(H,13,14)
InChIKeyWEFKLLRPEQKGRS-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.06
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N',3-N,3-N'-tetrabenzoylpropanedihydrazide
CID 175312357
N-benzoyl-N-(2-bromophenyl)benzamide
CID 10595916
4-(2,2-dibenzoylhydrazinyl)-4-oxobutanoic acid
CID 154425317
N-benzoyl-N-[4-(dibenzoylamino)phenyl]benzamide
CID 171577154
benzoyl(methyl)carbamic acid;hydrochloride
CID 70634624
anilino(carboxy)carbamic acid
CID 154327082
N'-tert-butyl-N-(2-oxo-2-phenylacetyl)benzohydrazide
CID 54110815
Lithium benzoate, 99%
CID 57451198
N-benzoyl-N-(2-chlorophenyl)benzamide
CID 10592933
N-bromo-N-tert-butylbenzamide
CID 141466989
N,N-dibenzoylcarbamoyl chloride
CID 151011210
1-N,1-N',10-N,10-N'-tetrabenzoyldecanedihydrazide
CID 175112992

Frequently Asked Questions

What is the IUPAC name of benzoyl-(bromoamino)carbamic acid?
The IUPAC name of benzoyl-(bromoamino)carbamic acid (CID 126754569) is benzoyl-(bromoamino)carbamic acid.
What is the SMILES notation for benzoyl-(bromoamino)carbamic acid?
The canonical SMILES for benzoyl-(bromoamino)carbamic acid is O=C(O)N(NBr)C(=O)c1ccccc1.
What is the InChIKey of benzoyl-(bromoamino)carbamic acid?
The InChIKey is WEFKLLRPEQKGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O3/c9-10-11(8(13)14)7(12)6-4-2-1-3-5-6/h1-5,10H,(H,13,14).
What are the key properties of benzoyl-(bromoamino)carbamic acid?
benzoyl-(bromoamino)carbamic acid has a molecular weight of 259.06 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl-(bromoamino)carbamic acid is sourced from PubChem (CID 126754569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).