2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide

C12H16INO3 — CID 113224185

IUPAC2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide
SMILESCOCC(C)N(C)C(=O)c1cc(I)ccc1O
InChIInChI=1S/C12H16INO3/c1-8(7-17-3)14(2)12(16)10-6-9(13)4-5-11(10)15/h4-6,8,15H,7H2,1-3H3
InChIKeyFQQDKUXPVUZZTB-UHFFFAOYSA-N
MW349.17 g/mol
LogP2.10
Rot. Bonds4

About 2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide

2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide (PubChem CID 113224185) has the molecular formula C12H16INO3 and a molecular weight of 349.17 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide
PubChem CID113224185
Molecular FormulaC12H16INO3
Molecular Weight349.17 g/mol
Exact Mass349.02
IUPAC Name2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide
SMILESCOCC(C)N(C)C(=O)c1cc(I)ccc1O
InChIInChI=1S/C12H16INO3/c1-8(7-17-3)14(2)12(16)10-6-9(13)4-5-11(10)15/h4-6,8,15H,7H2,1-3H3
InChIKeyFQQDKUXPVUZZTB-UHFFFAOYSA-N
XLogP2.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 103995696
2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103526844
2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 106501519
3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 81443332
2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide
CID 113229831
2-hydroxy-5-iodo-N-methyl-N-(3-methylbutyl)benzamide
CID 103612713
2-hydroxy-5-iodo-N,N-dipropylbenzamide
CID 103602027
4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61452521
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 60794014
2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 63110280
2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid
CID 107731415
2-hydroxy-5-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 61452540

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide (CID 113224185) is 2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide is COCC(C)N(C)C(=O)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The InChIKey is FQQDKUXPVUZZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO3/c1-8(7-17-3)14(2)12(16)10-6-9(13)4-5-11(10)15/h4-6,8,15H,7H2,1-3H3.
What are the key properties of 2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide has a molecular weight of 349.17 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 113224185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).