N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide

C14H11IN2O4 — CID 103894392

IUPACN-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1I
InChIInChI=1S/C14H11IN2O4/c1-8-3-2-4-10(13(8)15)14(19)16-11-7-9(17(20)21)5-6-12(11)18/h2-7,18H,1H3,(H,16,19)
InChIKeyBENUYDMPZBBMNU-UHFFFAOYSA-N
MW398.16 g/mol
LogP3.47
Rot. Bonds3

About N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide

N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide (PubChem CID 103894392) has the molecular formula C14H11IN2O4 and a molecular weight of 398.16 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide
PubChem CID103894392
Molecular FormulaC14H11IN2O4
Molecular Weight398.16 g/mol
Exact Mass397.98
IUPAC NameN-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1I
InChIInChI=1S/C14H11IN2O4/c1-8-3-2-4-10(13(8)15)14(19)16-11-7-9(17(20)21)5-6-12(11)18/h2-7,18H,1H3,(H,16,19)
InChIKeyBENUYDMPZBBMNU-UHFFFAOYSA-N
XLogP3.47
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.16
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide
CID 103863236
2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863233
N-(2-hydroxy-5-nitrophenyl)-2-methylpyridine-3-carboxamide
CID 103863225
2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 30951453
N-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide
CID 103894425
3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 106548159
2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 80710679
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide
CID 106509889
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135
N-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide
CID 103863259
5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 828117

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide (CID 103894392) is N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1I.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide?
The InChIKey is BENUYDMPZBBMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O4/c1-8-3-2-4-10(13(8)15)14(19)16-11-7-9(17(20)21)5-6-12(11)18/h2-7,18H,1H3,(H,16,19).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide?
N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide has a molecular weight of 398.16 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide is sourced from PubChem (CID 103894392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).