N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide

C15H15IN2O2 — CID 107731159

IUPACN-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide
SMILESCc1cc(N)c(NC(=O)c2cc(I)ccc2O)cc1C
InChIInChI=1S/C15H15IN2O2/c1-8-5-12(17)13(6-9(8)2)18-15(20)11-7-10(16)3-4-14(11)19/h3-7,19H,17H2,1-2H3,(H,18,20)
InChIKeyRGMQPDIAVPPKRK-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.45
Rot. Bonds2

About N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide

N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide (PubChem CID 107731159) has the molecular formula C15H15IN2O2 and a molecular weight of 382.20 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide
PubChem CID107731159
Molecular FormulaC15H15IN2O2
Molecular Weight382.20 g/mol
Exact Mass382.02
IUPAC NameN-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide
SMILESCc1cc(N)c(NC(=O)c2cc(I)ccc2O)cc1C
InChIInChI=1S/C15H15IN2O2/c1-8-5-12(17)13(6-9(8)2)18-15(20)11-7-10(16)3-4-14(11)19/h3-7,19H,17H2,1-2H3,(H,18,20)
InChIKeyRGMQPDIAVPPKRK-UHFFFAOYSA-N
XLogP3.45
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.45
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

2-hydroxy-5-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 86251688
N-(2-amino-6-methylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731116
N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-4-methylbenzamide
CID 62097745
N-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide
CID 107687648
N-(2-amino-4,5-dimethylphenyl)-3-hydroxypyridine-4-carboxamide
CID 81446459
N-(2-amino-5-methylphenyl)-2-hydroxy-5-methylbenzamide
CID 112557255
N-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide
CID 103144431
N-(2-amino-4,5-dimethylphenyl)-2,5-difluorobenzamide
CID 62100127
N-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731650
N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide
CID 107095769
4-[(2-hydroxy-5-iodobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 107731449
N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-iodobenzamide
CID 107731795

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide (CID 107731159) is N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide is Cc1cc(N)c(NC(=O)c2cc(I)ccc2O)cc1C.
What is the InChIKey of N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide?
The InChIKey is RGMQPDIAVPPKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O2/c1-8-5-12(17)13(6-9(8)2)18-15(20)11-7-10(16)3-4-14(11)19/h3-7,19H,17H2,1-2H3,(H,18,20).
What are the key properties of N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide?
N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide has a molecular weight of 382.20 g/mol, XLogP of 3.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 107731159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).