2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide

C16H15IN2O4 — CID 17358897

IUPAC2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCc1c(NC(=O)C(C)Oc2ccc(I)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H15IN2O4/c1-10-14(4-3-5-15(10)19(21)22)18-16(20)11(2)23-13-8-6-12(17)7-9-13/h3-9,11H,1-2H3,(H,18,20)
InChIKeyDKQZOMZVCFLFBS-UHFFFAOYSA-N
MW426.21 g/mol
LogP3.91
Rot. Bonds5

About 2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide

2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide (PubChem CID 17358897) has the molecular formula C16H15IN2O4 and a molecular weight of 426.21 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide
PubChem CID17358897
Molecular FormulaC16H15IN2O4
Molecular Weight426.21 g/mol
Exact Mass426.01
IUPAC Name2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCc1c(NC(=O)C(C)Oc2ccc(I)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H15IN2O4/c1-10-14(4-3-5-15(10)19(21)22)18-16(20)11(2)23-13-8-6-12(17)7-9-13/h3-9,11H,1-2H3,(H,18,20)
InChIKeyDKQZOMZVCFLFBS-UHFFFAOYSA-N
XLogP3.91
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.21
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(3-amino-2-methylphenyl)-2-(4-iodophenoxy)propanamide
CID 43327286
(2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 93488024
(2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide
CID 1008812
(2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide
CID 7212772
2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide
CID 2953745
(2R)-N-(2-methyl-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100746908
2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide
CID 53267271
2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide
CID 2939832
2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide
CID 53266753
N-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide
CID 17142403
2-(4-methoxyphenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 43908731
2-amino-3-methoxy-N-(2-methyl-3-nitrophenyl)propanamide
CID 81082853

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide?
The IUPAC name of 2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide (CID 17358897) is 2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide.
What is the SMILES notation for 2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide?
The canonical SMILES for 2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide is Cc1c(NC(=O)C(C)Oc2ccc(I)cc2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide?
The InChIKey is DKQZOMZVCFLFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O4/c1-10-14(4-3-5-15(10)19(21)22)18-16(20)11(2)23-13-8-6-12(17)7-9-13/h3-9,11H,1-2H3,(H,18,20).
What are the key properties of 2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide?
2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide has a molecular weight of 426.21 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide is sourced from PubChem (CID 17358897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).