5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide

C13H17ClINO3 — CID 79253137

IUPAC5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)NC(CO)C(C)C
InChIInChI=1S/C13H17ClINO3/c1-7(2)11(6-17)16-13(18)8-4-9(14)10(15)5-12(8)19-3/h4-5,7,11,17H,6H2,1-3H3,(H,16,18)
InChIKeyRYQZRHLAIFVYSW-UHFFFAOYSA-N
MW397.64 g/mol
LogP2.70
Rot. Bonds5

About 5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide

5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide (PubChem CID 79253137) has the molecular formula C13H17ClINO3 and a molecular weight of 397.64 g/mol. Its IUPAC name is 5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide
PubChem CID79253137
Molecular FormulaC13H17ClINO3
Molecular Weight397.64 g/mol
Exact Mass396.99
IUPAC Name5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)NC(CO)C(C)C
InChIInChI=1S/C13H17ClINO3/c1-7(2)11(6-17)16-13(18)8-4-9(14)10(15)5-12(8)19-3/h4-5,7,11,17H,6H2,1-3H3,(H,16,18)
InChIKeyRYQZRHLAIFVYSW-UHFFFAOYSA-N
XLogP2.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.64
LogP ≤ 52.70
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

(2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 78975862
5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
CID 43419592
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide
CID 79247786
(2S)-4-amino-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 63715560
4-amino-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 43357181
propan-2-yl 2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]acetate
CID 56546801
5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide
CID 103771614
N-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride
CID 119615563
5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide
CID 62522447
4-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-3-methoxybutanoic acid
CID 103153008
N-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide
CID 55947023
5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55607362

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide (CID 79253137) is 5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide is COc1cc(I)c(Cl)cc1C(=O)NC(CO)C(C)C.
What is the InChIKey of 5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide?
The InChIKey is RYQZRHLAIFVYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClINO3/c1-7(2)11(6-17)16-13(18)8-4-9(14)10(15)5-12(8)19-3/h4-5,7,11,17H,6H2,1-3H3,(H,16,18).
What are the key properties of 5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide?
5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide has a molecular weight of 397.64 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide is sourced from PubChem (CID 79253137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).