3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide

C13H17ClINO2 — CID 103222118

IUPAC3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide
SMILESCCCC(COC)NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H17ClINO2/c1-3-4-10(8-18-2)16-13(17)9-5-6-12(15)11(14)7-9/h5-7,10H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyXJGDTWNOMUFJQG-UHFFFAOYSA-N
MW381.64 g/mol
LogP3.49
Rot. Bonds6

About 3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide

3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide (PubChem CID 103222118) has the molecular formula C13H17ClINO2 and a molecular weight of 381.64 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide
PubChem CID103222118
Molecular FormulaC13H17ClINO2
Molecular Weight381.64 g/mol
Exact Mass381.00
IUPAC Name3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide
SMILESCCCC(COC)NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H17ClINO2/c1-3-4-10(8-18-2)16-13(17)9-5-6-12(15)11(14)7-9/h5-7,10H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyXJGDTWNOMUFJQG-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.64
LogP ≤ 53.49
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

3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 103851083
3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide
CID 106182456
3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide
CID 103212326
N-(4-chloro-1-methoxybutan-2-yl)-3-hydroxy-4-iodobenzamide
CID 106155621
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 113434933
3-chloro-4-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103222227
3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide
CID 114113915
3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide
CID 103221997
methyl 2-[(3-chloro-4-iodobenzoyl)amino]-3-hydroxypropanoate
CID 104964307
4-fluoro-2-iodo-N-(1-methoxypentan-2-yl)benzamide
CID 114029293
3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide
CID 65382617
3-chloro-N-hexan-3-yl-4-hydroxybenzamide
CID 62046987

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide?
The IUPAC name of 3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide (CID 103222118) is 3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide is CCCC(COC)NC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide?
The InChIKey is XJGDTWNOMUFJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClINO2/c1-3-4-10(8-18-2)16-13(17)9-5-6-12(15)11(14)7-9/h5-7,10H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of 3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide?
3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide has a molecular weight of 381.64 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide is sourced from PubChem (CID 103222118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).