2-amino-4-bromo-N,N-dimethylbenzamide

C9H11BrN2O — CID 79714600

IUPAC2-amino-4-bromo-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Br)cc1N
InChIInChI=1S/C9H11BrN2O/c1-12(2)9(13)7-4-3-6(10)5-8(7)11/h3-5H,11H2,1-2H3
InChIKeyFUTKTMNDRZTABU-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.73
Rot. Bonds1

About 2-amino-4-bromo-N,N-dimethylbenzamide

2-amino-4-bromo-N,N-dimethylbenzamide (PubChem CID 79714600) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 2-amino-4-bromo-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N,N-dimethylbenzamide
PubChem CID79714600
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name2-amino-4-bromo-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Br)cc1N
InChIInChI=1S/C9H11BrN2O/c1-12(2)9(13)7-4-3-6(10)5-8(7)11/h3-5H,11H2,1-2H3
InChIKeyFUTKTMNDRZTABU-UHFFFAOYSA-N
XLogP1.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 79714357
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CID 112658891
2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide
CID 79722420
2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide
CID 79721752
2-amino-4-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide
CID 79703626
2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 79714273
2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 120994241
2-[(2-amino-4-bromobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 79721598
2-[(2-amino-4-bromobenzoyl)-propylamino]acetic acid
CID 79721744
4-amino-2-bromo-3-hydroxy-N,N-dimethylbenzamide
CID 172571299
2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 79723280
1-(2-amino-4-bromophenyl)-2-hydroxyethanone
CID 155640752

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N,N-dimethylbenzamide?
The IUPAC name of 2-amino-4-bromo-N,N-dimethylbenzamide (CID 79714600) is 2-amino-4-bromo-N,N-dimethylbenzamide.
What is the SMILES notation for 2-amino-4-bromo-N,N-dimethylbenzamide?
The canonical SMILES for 2-amino-4-bromo-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N,N-dimethylbenzamide?
The InChIKey is FUTKTMNDRZTABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-12(2)9(13)7-4-3-6(10)5-8(7)11/h3-5H,11H2,1-2H3.
What are the key properties of 2-amino-4-bromo-N,N-dimethylbenzamide?
2-amino-4-bromo-N,N-dimethylbenzamide has a molecular weight of 243.10 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N,N-dimethylbenzamide is sourced from PubChem (CID 79714600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).