2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide

C11H14INO2 — CID 114504231

IUPAC2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCCI)c1O
InChIInChI=1S/C11H14INO2/c1-8-4-2-5-9(10(8)14)11(15)13-7-3-6-12/h2,4-5,14H,3,6-7H2,1H3,(H,13,15)
InChIKeyWMFGXNBEQIPZII-UHFFFAOYSA-N
MW319.14 g/mol
LogP2.26
Rot. Bonds4

About 2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide

2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide (PubChem CID 114504231) has the molecular formula C11H14INO2 and a molecular weight of 319.14 g/mol. Its IUPAC name is 2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide
PubChem CID114504231
Molecular FormulaC11H14INO2
Molecular Weight319.14 g/mol
Exact Mass319.01
IUPAC Name2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCCI)c1O
InChIInChI=1S/C11H14INO2/c1-8-4-2-5-9(10(8)14)11(15)13-7-3-6-12/h2,4-5,14H,3,6-7H2,1H3,(H,13,15)
InChIKeyWMFGXNBEQIPZII-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide
CID 167628085
N-(3-ethylsulfanylpropyl)-2-hydroxy-3-methylbenzamide
CID 114248145
3-chloro-N-(3-iodopropyl)-2-methylbenzamide
CID 107100281
2,3-difluoro-N-(3-iodopropyl)benzamide
CID 114504531
2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60712545
2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54934799
1-N,2-N-bis(4-iodobutyl)benzene-1,2-dicarboxamide
CID 139952452
N-(5-iodopentyl)-3-methyl-2-nitrobenzamide
CID 107322295
2,3-dichloro-N-(3-iodopropyl)benzamide
CID 114504005
3-chloro-N-(4-iodobutyl)-2-methylbenzamide
CID 107100317
N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514
N-[2-(2-bromoethoxy)ethyl]-2-hydroxy-3-methylbenzamide
CID 114309468

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide?
The IUPAC name of 2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide (CID 114504231) is 2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide is Cc1cccc(C(=O)NCCCI)c1O.
What is the InChIKey of 2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide?
The InChIKey is WMFGXNBEQIPZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO2/c1-8-4-2-5-9(10(8)14)11(15)13-7-3-6-12/h2,4-5,14H,3,6-7H2,1H3,(H,13,15).
What are the key properties of 2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide?
2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide has a molecular weight of 319.14 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide is sourced from PubChem (CID 114504231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).