N-(2,6-dibromophenyl)-N-methylcarbamoyl chloride

C8H6Br2ClNO — CID 177181982

IUPACN-(2,6-dibromophenyl)-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)c1c(Br)cccc1Br
InChIInChI=1S/C8H6Br2ClNO/c1-12(8(11)13)7-5(9)3-2-4-6(7)10/h2-4H,1H3
InChIKeyXHEZFLPZWMSARJ-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.01
Rot. Bonds1

About N-(2,6-dibromophenyl)-N-methylcarbamoyl chloride

N-(2,6-dibromophenyl)-N-methylcarbamoyl chloride (PubChem CID 177181982) has the molecular formula C8H6Br2ClNO and a molecular weight of 327.40 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-N-methylcarbamoyl chloride
PubChem CID177181982
Molecular FormulaC8H6Br2ClNO
Molecular Weight327.40 g/mol
Exact Mass324.85
IUPAC NameN-(2,6-dibromophenyl)-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)c1c(Br)cccc1Br
InChIInChI=1S/C8H6Br2ClNO/c1-12(8(11)13)7-5(9)3-2-4-6(7)10/h2-4H,1H3
InChIKeyXHEZFLPZWMSARJ-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,6-dibromophenyl)-N-methylcarbamoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-bromo-2-(dimethylamino)phenyl]ethanone
CID 155738000
(2-bromo-6-cyanophenyl)-methylcarbamic acid
CID 175738879
N-(2-bromophenyl)-2-cyano-N-methylacetamide
CID 83548486
3-amino-N-(2-bromophenyl)-N-methylbutanamide
CID 115154147
2-(2-bromo-N-methylanilino)cyclopropane-1-carboxylic acid
CID 117042642
N-(2-bromophenyl)-N-methyl-3-phenylpropanamide
CID 66744699
5-(2-bromo-N-methylanilino)-5-oxopentanoic acid
CID 115163855
2-bromo-6-fluoro-N,N-dimethylaniline
CID 99770093
2-(2-bromo-N-methyl-6-methylsulfonylanilino)acetic acid
CID 120965273
N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
3-(2-bromo-N-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 115164003
2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide
CID 114559714

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-N-methylcarbamoyl chloride?
The IUPAC name of N-(2,6-dibromophenyl)-N-methylcarbamoyl chloride (CID 177181982) is N-(2,6-dibromophenyl)-N-methylcarbamoyl chloride.
What is the SMILES notation for N-(2,6-dibromophenyl)-N-methylcarbamoyl chloride?
The canonical SMILES for N-(2,6-dibromophenyl)-N-methylcarbamoyl chloride is CN(C(=O)Cl)c1c(Br)cccc1Br.
What is the InChIKey of N-(2,6-dibromophenyl)-N-methylcarbamoyl chloride?
The InChIKey is XHEZFLPZWMSARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2ClNO/c1-12(8(11)13)7-5(9)3-2-4-6(7)10/h2-4H,1H3.
What are the key properties of N-(2,6-dibromophenyl)-N-methylcarbamoyl chloride?
N-(2,6-dibromophenyl)-N-methylcarbamoyl chloride has a molecular weight of 327.40 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-N-methylcarbamoyl chloride is sourced from PubChem (CID 177181982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).