2-bromo-3-chloro-N-methylbenzamide

C8H7BrClNO — CID 69377341

IUPAC2-bromo-3-chloro-N-methylbenzamide
SMILESCNC(=O)c1cccc(Cl)c1Br
InChIInChI=1S/C8H7BrClNO/c1-11-8(12)5-3-2-4-6(10)7(5)9/h2-4H,1H3,(H,11,12)
InChIKeyFSYRNFCNUGJSKZ-UHFFFAOYSA-N
MW248.51 g/mol
LogP2.46
Rot. Bonds1

About 2-bromo-3-chloro-N-methylbenzamide

2-bromo-3-chloro-N-methylbenzamide (PubChem CID 69377341) has the molecular formula C8H7BrClNO and a molecular weight of 248.51 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-3-chloro-N-methylbenzamide
PubChem CID69377341
Molecular FormulaC8H7BrClNO
Molecular Weight248.51 g/mol
Exact Mass246.94
IUPAC Name2-bromo-3-chloro-N-methylbenzamide
SMILESCNC(=O)c1cccc(Cl)c1Br
InChIInChI=1S/C8H7BrClNO/c1-11-8(12)5-3-2-4-6(10)7(5)9/h2-4H,1H3,(H,11,12)
InChIKeyFSYRNFCNUGJSKZ-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-2-bromo-N-methylbenzamide
CID 100681188
N-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide
CID 171390393
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758
2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 114023836
2-(2-chlorophenyl)-N-methyl-2-oxoacetamide
CID 140990273
3-chloro-N-methylnaphthalene-2-carboxamide
CID 133063253
2-(2-bromo-3-chloroanilino)benzoic acid
CID 103480389
7-bromo-N-methylnaphthalene-1-carboxamide
CID 178046455
N-(2-bromo-3-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 103481373
2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
CID 3322799
2-chloro-6-ethyl-N-methylbenzamide
CID 142221767
ethane;N,2,3-trimethylbenzamide
CID 178108869

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-methylbenzamide?
The IUPAC name of 2-bromo-3-chloro-N-methylbenzamide (CID 69377341) is 2-bromo-3-chloro-N-methylbenzamide.
What is the SMILES notation for 2-bromo-3-chloro-N-methylbenzamide?
The canonical SMILES for 2-bromo-3-chloro-N-methylbenzamide is CNC(=O)c1cccc(Cl)c1Br.
What is the InChIKey of 2-bromo-3-chloro-N-methylbenzamide?
The InChIKey is FSYRNFCNUGJSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO/c1-11-8(12)5-3-2-4-6(10)7(5)9/h2-4H,1H3,(H,11,12).
What are the key properties of 2-bromo-3-chloro-N-methylbenzamide?
2-bromo-3-chloro-N-methylbenzamide has a molecular weight of 248.51 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-methylbenzamide is sourced from PubChem (CID 69377341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).