N-(3-bromophenyl)-N-methylcarbamoyl bromide

C8H7Br2NO — CID 115193496

IUPACN-(3-bromophenyl)-N-methylcarbamoyl bromide
SMILESCN(C(=O)Br)c1cccc(Br)c1
InChIInChI=1S/C8H7Br2NO/c1-11(8(10)12)7-4-2-3-6(9)5-7/h2-5H,1H3
InChIKeySPQAPWMGSAXKPO-UHFFFAOYSA-N
MW292.96 g/mol
LogP3.40
Rot. Bonds1

About N-(3-bromophenyl)-N-methylcarbamoyl bromide

N-(3-bromophenyl)-N-methylcarbamoyl bromide (PubChem CID 115193496) has the molecular formula C8H7Br2NO and a molecular weight of 292.96 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-methylcarbamoyl bromide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-methylcarbamoyl bromide
PubChem CID115193496
Molecular FormulaC8H7Br2NO
Molecular Weight292.96 g/mol
Exact Mass290.89
IUPAC NameN-(3-bromophenyl)-N-methylcarbamoyl bromide
SMILESCN(C(=O)Br)c1cccc(Br)c1
InChIInChI=1S/C8H7Br2NO/c1-11(8(10)12)7-4-2-3-6(9)5-7/h2-5H,1H3
InChIKeySPQAPWMGSAXKPO-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.96
LogP ≤ 53.40
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'}

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Related Compounds

N-(3-bromophenyl)-N,2,2-trimethylpropanamide
CID 172560742
N-(3-bromophenyl)-N-methylprop-2-ynamide
CID 130659155
N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide
CID 115140581
3-[(3-bromophenyl)-methylcarbamoyl]benzoic acid
CID 115165495
4-amino-N-(3-bromophenyl)-N-methylbenzamide
CID 82094901
N-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182178
N-(3-bromophenyl)-N-hydroxyacetamide
CID 3015973
4-(3-bromo-N-methylanilino)-2-methyl-4-oxobutanoic acid
CID 115165040
methyl (Z)-2-(3-bromo-N-methylanilino)-3-methoxyprop-2-enoate
CID 146341710
4-(3-bromo-N-methylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 115165263
N-(3-bromophenyl)-N-methylmorpholine-4-carboxamide
CID 66906368
2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide
CID 115186940

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-methylcarbamoyl bromide?
The IUPAC name of N-(3-bromophenyl)-N-methylcarbamoyl bromide (CID 115193496) is N-(3-bromophenyl)-N-methylcarbamoyl bromide.
What is the SMILES notation for N-(3-bromophenyl)-N-methylcarbamoyl bromide?
The canonical SMILES for N-(3-bromophenyl)-N-methylcarbamoyl bromide is CN(C(=O)Br)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N-methylcarbamoyl bromide?
The InChIKey is SPQAPWMGSAXKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2NO/c1-11(8(10)12)7-4-2-3-6(9)5-7/h2-5H,1H3.
What are the key properties of N-(3-bromophenyl)-N-methylcarbamoyl bromide?
N-(3-bromophenyl)-N-methylcarbamoyl bromide has a molecular weight of 292.96 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-methylcarbamoyl bromide is sourced from PubChem (CID 115193496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).