2-bromo-3-iodo-N,N-dimethylbenzamide

C9H9BrINO — CID 171921432

IUPAC2-bromo-3-iodo-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(I)c1Br
InChIInChI=1S/C9H9BrINO/c1-12(2)9(13)6-4-3-5-7(11)8(6)10/h3-5H,1-2H3
InChIKeyMROUVXXQFUQQGA-UHFFFAOYSA-N
MW353.99 g/mol
LogP2.76
Rot. Bonds1

About 2-bromo-3-iodo-N,N-dimethylbenzamide

2-bromo-3-iodo-N,N-dimethylbenzamide (PubChem CID 171921432) has the molecular formula C9H9BrINO and a molecular weight of 353.99 g/mol. Its IUPAC name is 2-bromo-3-iodo-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-bromo-3-iodo-N,N-dimethylbenzamide
PubChem CID171921432
Molecular FormulaC9H9BrINO
Molecular Weight353.99 g/mol
Exact Mass352.89
IUPAC Name2-bromo-3-iodo-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(I)c1Br
InChIInChI=1S/C9H9BrINO/c1-12(2)9(13)6-4-3-5-7(11)8(6)10/h3-5H,1-2H3
InChIKeyMROUVXXQFUQQGA-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.99
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-methoxy-N,N-dimethylbenzamide
CID 131254879
3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042
2-chloro-3-fluoro-N,N-dimethylbenzamide
CID 57234037
4-amino-2-bromo-3-hydroxy-N,N-dimethylbenzamide
CID 172571299
N-cyano-2-iodo-N-methylbenzamide
CID 130884636
2-ethynyl-N,N,3-trimethylbenzamide
CID 169452057
2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112692105
2-amino-3-chloro-N,N-dimethylbenzamide
CID 68799362
3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide
CID 88939329
3-dimethylarsanyl-N,N,2-trimethylbenzamide
CID 87584443
3-chloro-2-fluoro-N,N-dimethylbenzamide
CID 80979607
2-iodo-N-methyl-N-(1-phenylethyl)benzamide
CID 60655087

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-iodo-N,N-dimethylbenzamide?
The IUPAC name of 2-bromo-3-iodo-N,N-dimethylbenzamide (CID 171921432) is 2-bromo-3-iodo-N,N-dimethylbenzamide.
What is the SMILES notation for 2-bromo-3-iodo-N,N-dimethylbenzamide?
The canonical SMILES for 2-bromo-3-iodo-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(I)c1Br.
What is the InChIKey of 2-bromo-3-iodo-N,N-dimethylbenzamide?
The InChIKey is MROUVXXQFUQQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrINO/c1-12(2)9(13)6-4-3-5-7(11)8(6)10/h3-5H,1-2H3.
What are the key properties of 2-bromo-3-iodo-N,N-dimethylbenzamide?
2-bromo-3-iodo-N,N-dimethylbenzamide has a molecular weight of 353.99 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-iodo-N,N-dimethylbenzamide is sourced from PubChem (CID 171921432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).