5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide

C11H11ClINO — CID 103677274

IUPAC5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide
SMILESCC1(NC(=O)c2cc(Cl)ccc2I)CC1
InChIInChI=1S/C11H11ClINO/c1-11(4-5-11)14-10(15)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyFFLHBROIDRQMDS-UHFFFAOYSA-N
MW335.57 g/mol
LogP3.23
Rot. Bonds2

About 5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide

5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide (PubChem CID 103677274) has the molecular formula C11H11ClINO and a molecular weight of 335.57 g/mol. Its IUPAC name is 5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide
PubChem CID103677274
Molecular FormulaC11H11ClINO
Molecular Weight335.57 g/mol
Exact Mass334.96
IUPAC Name5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide
SMILESCC1(NC(=O)c2cc(Cl)ccc2I)CC1
InChIInChI=1S/C11H11ClINO/c1-11(4-5-11)14-10(15)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyFFLHBROIDRQMDS-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.57
LogP ≤ 53.23
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

1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 103925830
2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide
CID 103765307
5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide
CID 86986055
2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid
CID 103790760
4-chloro-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 61217012
3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid
CID 103925892
5-chloro-2-iodo-N',N'-dimethylbenzohydrazide
CID 103626498
5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide
CID 113268309
4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 115761034
(5-chloro-2-iodophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 103709418
5-chloro-2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide
CID 134505611
2-iodo-N-(4-methyloxan-4-yl)-5-nitrobenzamide
CID 115759649

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide?
The IUPAC name of 5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide (CID 103677274) is 5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide.
What is the SMILES notation for 5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide?
The canonical SMILES for 5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide is CC1(NC(=O)c2cc(Cl)ccc2I)CC1.
What is the InChIKey of 5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide?
The InChIKey is FFLHBROIDRQMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClINO/c1-11(4-5-11)14-10(15)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3,(H,14,15).
What are the key properties of 5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide?
5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide has a molecular weight of 335.57 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide is sourced from PubChem (CID 103677274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).