3-chloro-2-iodo-6-methylbenzamide

C8H7ClINO — CID 171003854

IUPAC3-chloro-2-iodo-6-methylbenzamide
SMILESCc1ccc(Cl)c(I)c1C(N)=O
InChIInChI=1S/C8H7ClINO/c1-4-2-3-5(9)7(10)6(4)8(11)12/h2-3H,1H3,(H2,11,12)
InChIKeyTWAFKNDJSZRSAK-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.35
Rot. Bonds1

About 3-chloro-2-iodo-6-methylbenzamide

3-chloro-2-iodo-6-methylbenzamide (PubChem CID 171003854) has the molecular formula C8H7ClINO and a molecular weight of 295.51 g/mol. Its IUPAC name is 3-chloro-2-iodo-6-methylbenzamide.

Molecular Properties

Compound Name3-chloro-2-iodo-6-methylbenzamide
PubChem CID171003854
Molecular FormulaC8H7ClINO
Molecular Weight295.51 g/mol
Exact Mass294.93
IUPAC Name3-chloro-2-iodo-6-methylbenzamide
SMILESCc1ccc(Cl)c(I)c1C(N)=O
InChIInChI=1S/C8H7ClINO/c1-4-2-3-5(9)7(10)6(4)8(11)12/h2-3H,1H3,(H2,11,12)
InChIKeyTWAFKNDJSZRSAK-UHFFFAOYSA-N
XLogP2.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-iodo-3-methylbenzamide
CID 171003803
3-chloro-6-methyl-2-sulfanylbenzamide
CID 174522817
2-bromo-3-iodo-6-methylbenzamide
CID 171033336
2-hydroxy-3,6-dimethylbenzamide
CID 82266966
2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone
CID 171009335
2-iodo-3,6-dimethylbenzoyl chloride
CID 171002077
2,4-dimethylbenzene-1,3-dicarboxamide
CID 19767105
3-chloro-6-methoxy-2-methylbenzamide
CID 171008578
2-acetyl-4-chloro-3-iodobenzaldehyde
CID 171002089
3-chloro-4-methylbenzamide;ethane
CID 162191867
bis(6-chloro-2,3-dimethylphenyl)methanone
CID 139698463
tert-butyl 3-chloro-2,6-dimethylbenzoate
CID 170757058

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-iodo-6-methylbenzamide?
The IUPAC name of 3-chloro-2-iodo-6-methylbenzamide (CID 171003854) is 3-chloro-2-iodo-6-methylbenzamide.
What is the SMILES notation for 3-chloro-2-iodo-6-methylbenzamide?
The canonical SMILES for 3-chloro-2-iodo-6-methylbenzamide is Cc1ccc(Cl)c(I)c1C(N)=O.
What is the InChIKey of 3-chloro-2-iodo-6-methylbenzamide?
The InChIKey is TWAFKNDJSZRSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClINO/c1-4-2-3-5(9)7(10)6(4)8(11)12/h2-3H,1H3,(H2,11,12).
What are the key properties of 3-chloro-2-iodo-6-methylbenzamide?
3-chloro-2-iodo-6-methylbenzamide has a molecular weight of 295.51 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-iodo-6-methylbenzamide is sourced from PubChem (CID 171003854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).