N-(2-amino-6-methylphenyl)-2-hydroxy-5-iodobenzamide

C14H13IN2O2 — CID 107731116

IUPACN-(2-amino-6-methylphenyl)-2-hydroxy-5-iodobenzamide
SMILESCc1cccc(N)c1NC(=O)c1cc(I)ccc1O
InChIInChI=1S/C14H13IN2O2/c1-8-3-2-4-11(16)13(8)17-14(19)10-7-9(15)5-6-12(10)18/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyLTZBOLNNNYLQDY-UHFFFAOYSA-N
MW368.17 g/mol
LogP3.14
Rot. Bonds2

About N-(2-amino-6-methylphenyl)-2-hydroxy-5-iodobenzamide

N-(2-amino-6-methylphenyl)-2-hydroxy-5-iodobenzamide (PubChem CID 107731116) has the molecular formula C14H13IN2O2 and a molecular weight of 368.17 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2-hydroxy-5-iodobenzamide
PubChem CID107731116
Molecular FormulaC14H13IN2O2
Molecular Weight368.17 g/mol
Exact Mass368.00
IUPAC NameN-(2-amino-6-methylphenyl)-2-hydroxy-5-iodobenzamide
SMILESCc1cccc(N)c1NC(=O)c1cc(I)ccc1O
InChIInChI=1S/C14H13IN2O2/c1-8-3-2-4-11(16)13(8)17-14(19)10-7-9(15)5-6-12(10)18/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyLTZBOLNNNYLQDY-UHFFFAOYSA-N
XLogP3.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-6-methylphenyl)-5-chloro-2-hydroxybenzamide
CID 43330005
N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731159
2-hydroxy-5-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 86251688
N-(2-amino-6-methylphenyl)-2,4-dimethylbenzamide
CID 43330062
3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 107731465
N-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731650
N-(2-amino-6-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802397
N-(2-amino-6-methylphenyl)-2,4-dibromobenzamide
CID 107937350
3-amino-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 78984651
N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43330061
2-amino-N-(2,6-dimethylphenyl)-5-methylbenzamide
CID 55083036
N-(2-amino-6-methylphenyl)-3-chlorobenzamide
CID 43152332

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2-hydroxy-5-iodobenzamide (CID 107731116) is N-(2-amino-6-methylphenyl)-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2-hydroxy-5-iodobenzamide is Cc1cccc(N)c1NC(=O)c1cc(I)ccc1O.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2-hydroxy-5-iodobenzamide?
The InChIKey is LTZBOLNNNYLQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O2/c1-8-3-2-4-11(16)13(8)17-14(19)10-7-9(15)5-6-12(10)18/h2-7,18H,16H2,1H3,(H,17,19).
What are the key properties of N-(2-amino-6-methylphenyl)-2-hydroxy-5-iodobenzamide?
N-(2-amino-6-methylphenyl)-2-hydroxy-5-iodobenzamide has a molecular weight of 368.17 g/mol, XLogP of 3.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 107731116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).