3-(bromoamino)benzoyl chloride

C7H5BrClNO — CID 174883309

IUPAC3-(bromoamino)benzoyl chloride
SMILESO=C(Cl)c1cccc(NBr)c1
InChIInChI=1S/C7H5BrClNO/c8-10-6-3-1-2-5(4-6)7(9)11/h1-4,10H
InChIKeyUOLAWQHGVGSGMC-UHFFFAOYSA-N
MW234.48 g/mol
LogP2.79
Rot. Bonds2

About 3-(bromoamino)benzoyl chloride

3-(bromoamino)benzoyl chloride (PubChem CID 174883309) has the molecular formula C7H5BrClNO and a molecular weight of 234.48 g/mol. Its IUPAC name is 3-(bromoamino)benzoyl chloride.

Molecular Properties

Compound Name3-(bromoamino)benzoyl chloride
PubChem CID174883309
Molecular FormulaC7H5BrClNO
Molecular Weight234.48 g/mol
Exact Mass232.92
IUPAC Name3-(bromoamino)benzoyl chloride
SMILESO=C(Cl)c1cccc(NBr)c1
InChIInChI=1S/C7H5BrClNO/c8-10-6-3-1-2-5(4-6)7(9)11/h1-4,10H
InChIKeyUOLAWQHGVGSGMC-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-carbonochloridoylbenzoyl)chloranium
CID 148573269
3-[(3-methylphenyl)carbamoyl]benzoyl chloride
CID 101097986
3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride
CID 23150024
3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride
CID 12023926
3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride
CID 23150017
(3-carbonochloridoylphenyl)azanium
CID 143753008
3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride
CID 87323399
3-(phenylsulfamoyl)benzoyl chloride
CID 22137852
3-(4-carbonochloridoylbenzoyl)benzoyl chloride
CID 54548654
3-[(3-carbonochloridoylphenyl)diselanyl]benzoyl chloride
CID 88623583
4-acetylbenzoyl chloride;benzene-1,3-dicarbonyl chloride
CID 160876717
N-[3-[(Z)-2-bromo-1-chloroethenyl]phenyl]acetamide
CID 135075501

Frequently Asked Questions

What is the IUPAC name of 3-(bromoamino)benzoyl chloride?
The IUPAC name of 3-(bromoamino)benzoyl chloride (CID 174883309) is 3-(bromoamino)benzoyl chloride.
What is the SMILES notation for 3-(bromoamino)benzoyl chloride?
The canonical SMILES for 3-(bromoamino)benzoyl chloride is O=C(Cl)c1cccc(NBr)c1.
What is the InChIKey of 3-(bromoamino)benzoyl chloride?
The InChIKey is UOLAWQHGVGSGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClNO/c8-10-6-3-1-2-5(4-6)7(9)11/h1-4,10H.
What are the key properties of 3-(bromoamino)benzoyl chloride?
3-(bromoamino)benzoyl chloride has a molecular weight of 234.48 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromoamino)benzoyl chloride is sourced from PubChem (CID 174883309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).