4-chloro-5-iodo-2-methylbenzamide

C8H7ClINO — CID 171003552

IUPAC4-chloro-5-iodo-2-methylbenzamide
SMILESCc1cc(Cl)c(I)cc1C(N)=O
InChIInChI=1S/C8H7ClINO/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3H,1H3,(H2,11,12)
InChIKeyOBRHONDLAXGNRG-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.35
Rot. Bonds1

About 4-chloro-5-iodo-2-methylbenzamide

4-chloro-5-iodo-2-methylbenzamide (PubChem CID 171003552) has the molecular formula C8H7ClINO and a molecular weight of 295.51 g/mol. Its IUPAC name is 4-chloro-5-iodo-2-methylbenzamide.

Molecular Properties

Compound Name4-chloro-5-iodo-2-methylbenzamide
PubChem CID171003552
Molecular FormulaC8H7ClINO
Molecular Weight295.51 g/mol
Exact Mass294.93
IUPAC Name4-chloro-5-iodo-2-methylbenzamide
SMILESCc1cc(Cl)c(I)cc1C(N)=O
InChIInChI=1S/C8H7ClINO/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3H,1H3,(H2,11,12)
InChIKeyOBRHONDLAXGNRG-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

5-chloro-4-iodo-2-methylbenzamide
CID 171003750
5-chloro-2,4-dimethylbenzamide
CID 82551019
4-chloro-5-iodo-2-methylbenzoic acid;4-chloro-2-methylbenzoic acid
CID 159879182
4-chloro-5-iodo-2-nitrobenzamide
CID 171004894
4-chloro-5-(2-hydroxyethyl)-2-methylbenzamide
CID 68604884
5-iodo-2-methyl-4-nitrobenzamide
CID 171016017
2-bromo-1-(5-chloro-4-iodo-2-methylphenyl)ethanone
CID 171004733
4-carbamoyl-2,5-dimethylbenzoic acid
CID 165441285
3-chloro-4-iodobenzamide
CID 94675118
5-chloro-3-methylnaphthalene-2-carboxamide
CID 20773242
2,4-dihydroxy-5-iodo-3-methylbenzamide
CID 87861226
methyl 2-bromo-4-chloro-5-iodobenzoate
CID 50998206

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-2-methylbenzamide?
The IUPAC name of 4-chloro-5-iodo-2-methylbenzamide (CID 171003552) is 4-chloro-5-iodo-2-methylbenzamide.
What is the SMILES notation for 4-chloro-5-iodo-2-methylbenzamide?
The canonical SMILES for 4-chloro-5-iodo-2-methylbenzamide is Cc1cc(Cl)c(I)cc1C(N)=O.
What is the InChIKey of 4-chloro-5-iodo-2-methylbenzamide?
The InChIKey is OBRHONDLAXGNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClINO/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3H,1H3,(H2,11,12).
What are the key properties of 4-chloro-5-iodo-2-methylbenzamide?
4-chloro-5-iodo-2-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 4-chloro-5-iodo-2-methylbenzamide is sourced from PubChem (CID 171003552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).