2-chloro-6-iodo-4-methoxybenzamide

C8H7ClINO2 — CID 171003230

IUPAC2-chloro-6-iodo-4-methoxybenzamide
SMILESCOc1cc(Cl)c(C(N)=O)c(I)c1
InChIInChI=1S/C8H7ClINO2/c1-13-4-2-5(9)7(8(11)12)6(10)3-4/h2-3H,1H3,(H2,11,12)
InChIKeyQNVKZOYNJPMLJJ-UHFFFAOYSA-N
MW311.51 g/mol
LogP2.05
Rot. Bonds2

About 2-chloro-6-iodo-4-methoxybenzamide

2-chloro-6-iodo-4-methoxybenzamide (PubChem CID 171003230) has the molecular formula C8H7ClINO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 2-chloro-6-iodo-4-methoxybenzamide.

Molecular Properties

Compound Name2-chloro-6-iodo-4-methoxybenzamide
PubChem CID171003230
Molecular FormulaC8H7ClINO2
Molecular Weight311.51 g/mol
Exact Mass310.92
IUPAC Name2-chloro-6-iodo-4-methoxybenzamide
SMILESCOc1cc(Cl)c(C(N)=O)c(I)c1
InChIInChI=1S/C8H7ClINO2/c1-13-4-2-5(9)7(8(11)12)6(10)3-4/h2-3H,1H3,(H2,11,12)
InChIKeyQNVKZOYNJPMLJJ-UHFFFAOYSA-N
XLogP2.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(2-chloro-6-iodo-4-methoxyphenyl)ethanone
CID 171003358
2-iodo-4-methoxy-6-nitrobenzamide
CID 171012295
2,4-dichloro-6-methoxybenzamide
CID 118588801
1,3,5-trimethoxybenzene;urea
CID 174919725
methyl 2-iodo-4-methoxy-6-methylbenzoate
CID 131351829
2-bromo-1-(2-chloro-6-fluoro-4-methoxyphenyl)ethanone
CID 86690850
2,6-dichloro-4-methoxy-N-methylsulfanylbenzamide
CID 134419068
2-chloro-4-methoxy-6-(trifluoromethyl)benzoyl chloride
CID 171002954
(2-chloro-4,6-dimethoxyphenyl)-cyclopropylmethanone
CID 90303693
methyl 2-bromo-4-chloro-5-iodobenzoate
CID 50998206
methyl 4-chloro-2,6-diiodobenzoate
CID 130775245
3-chloro-6-methoxy-2-methylbenzamide
CID 171008578

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-iodo-4-methoxybenzamide?
The IUPAC name of 2-chloro-6-iodo-4-methoxybenzamide (CID 171003230) is 2-chloro-6-iodo-4-methoxybenzamide.
What is the SMILES notation for 2-chloro-6-iodo-4-methoxybenzamide?
The canonical SMILES for 2-chloro-6-iodo-4-methoxybenzamide is COc1cc(Cl)c(C(N)=O)c(I)c1.
What is the InChIKey of 2-chloro-6-iodo-4-methoxybenzamide?
The InChIKey is QNVKZOYNJPMLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClINO2/c1-13-4-2-5(9)7(8(11)12)6(10)3-4/h2-3H,1H3,(H2,11,12).
What are the key properties of 2-chloro-6-iodo-4-methoxybenzamide?
2-chloro-6-iodo-4-methoxybenzamide has a molecular weight of 311.51 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-iodo-4-methoxybenzamide is sourced from PubChem (CID 171003230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).