3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide

C12H15ClINO3 — CID 103851083

IUPAC3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
SMILESCOCC(CCO)NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H15ClINO3/c1-18-7-9(4-5-16)15-12(17)8-2-3-11(14)10(13)6-8/h2-3,6,9,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyQLUHYFYTOWSAOI-UHFFFAOYSA-N
MW383.61 g/mol
LogP2.07
Rot. Bonds6

About 3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide

3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide (PubChem CID 103851083) has the molecular formula C12H15ClINO3 and a molecular weight of 383.61 g/mol. Its IUPAC name is 3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
PubChem CID103851083
Molecular FormulaC12H15ClINO3
Molecular Weight383.61 g/mol
Exact Mass382.98
IUPAC Name3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
SMILESCOCC(CCO)NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H15ClINO3/c1-18-7-9(4-5-16)15-12(17)8-2-3-11(14)10(13)6-8/h2-3,6,9,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyQLUHYFYTOWSAOI-UHFFFAOYSA-N
XLogP2.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.61
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide
CID 103222118
3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide
CID 106182456
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 113434933
N-(4-chloro-1-methoxybutan-2-yl)-3-hydroxy-4-iodobenzamide
CID 106155621
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
CID 113264488
methyl 2-[(3-chloro-4-iodobenzoyl)amino]-3-hydroxypropanoate
CID 104964307
4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151971
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide
CID 103850770
3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide
CID 103212326
2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106153598
3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide
CID 103850888
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103799428

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide (CID 103851083) is 3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide is COCC(CCO)NC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide?
The InChIKey is QLUHYFYTOWSAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClINO3/c1-18-7-9(4-5-16)15-12(17)8-2-3-11(14)10(13)6-8/h2-3,6,9,16H,4-5,7H2,1H3,(H,15,17).
What are the key properties of 3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide?
3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide has a molecular weight of 383.61 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide is sourced from PubChem (CID 103851083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).