N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-iodobenzamide

C16H17IN2O2 — CID 107731795

IUPACN-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-iodobenzamide
SMILESCc1ccc(NC(=O)c2cc(I)ccc2O)cc1N(C)C
InChIInChI=1S/C16H17IN2O2/c1-10-4-6-12(9-14(10)19(2)3)18-16(21)13-8-11(17)5-7-15(13)20/h4-9,20H,1-3H3,(H,18,21)
InChIKeyMWNGFJWPVNNUCI-UHFFFAOYSA-N
MW396.23 g/mol
LogP3.62
Rot. Bonds3

About N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-iodobenzamide

N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-iodobenzamide (PubChem CID 107731795) has the molecular formula C16H17IN2O2 and a molecular weight of 396.23 g/mol. Its IUPAC name is N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-iodobenzamide
PubChem CID107731795
Molecular FormulaC16H17IN2O2
Molecular Weight396.23 g/mol
Exact Mass396.03
IUPAC NameN-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-iodobenzamide
SMILESCc1ccc(NC(=O)c2cc(I)ccc2O)cc1N(C)C
InChIInChI=1S/C16H17IN2O2/c1-10-4-6-12(9-14(10)19(2)3)18-16(21)13-8-11(17)5-7-15(13)20/h4-9,20H,1-3H3,(H,18,21)
InChIKeyMWNGFJWPVNNUCI-UHFFFAOYSA-N
XLogP3.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 53.62
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

N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-methylbenzamide
CID 115377986
N-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide
CID 115377989
2-hydroxy-5-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 86251688
2-hydroxy-5-iodo-N-naphthalen-2-ylbenzamide
CID 103602016
2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide
CID 115375793
N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide
CID 103602066
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide
CID 115375795
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide
CID 115375820
N-(3-chlorophenyl)-2-hydroxy-5-iodobenzamide
CID 103602012
N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731159
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide
CID 115376771
N-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731512

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-iodobenzamide (CID 107731795) is N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-iodobenzamide is Cc1ccc(NC(=O)c2cc(I)ccc2O)cc1N(C)C.
What is the InChIKey of N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-iodobenzamide?
The InChIKey is MWNGFJWPVNNUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O2/c1-10-4-6-12(9-14(10)19(2)3)18-16(21)13-8-11(17)5-7-15(13)20/h4-9,20H,1-3H3,(H,18,21).
What are the key properties of N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-iodobenzamide?
N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-iodobenzamide has a molecular weight of 396.23 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 107731795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).