N-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide

C15H13IN2O4 — CID 7865526

IUPACN-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
SMILESCc1cc(I)ccc1NC(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13IN2O4/c1-10-7-11(16)5-6-14(10)17-15(19)9-22-13-4-2-3-12(8-13)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChIKeyXFKJJTHSSXTFAL-UHFFFAOYSA-N
MW412.18 g/mol
LogP3.53
Rot. Bonds5

About N-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide

N-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide (PubChem CID 7865526) has the molecular formula C15H13IN2O4 and a molecular weight of 412.18 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
PubChem CID7865526
Molecular FormulaC15H13IN2O4
Molecular Weight412.18 g/mol
Exact Mass411.99
IUPAC NameN-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
SMILESCc1cc(I)ccc1NC(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13IN2O4/c1-10-7-11(16)5-6-14(10)17-15(19)9-22-13-4-2-3-12(8-13)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChIKeyXFKJJTHSSXTFAL-UHFFFAOYSA-N
XLogP3.53
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.18
LogP ≤ 53.53
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-chloro-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865374
2-(4-iodophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 55326089
N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(3-nitrophenoxy)acetamide
CID 55890710
N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865149
2-[[2-(3-nitrophenoxy)acetyl]amino]benzoic acid
CID 877684
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 55403286
N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865411
2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3389799
N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865410
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
2-(3,5-dichlorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide
CID 18281064
N-[(2-methyl-4-nitrophenyl)carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 4634805

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide (CID 7865526) is N-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide is Cc1cc(I)ccc1NC(=O)COc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide?
The InChIKey is XFKJJTHSSXTFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O4/c1-10-7-11(16)5-6-14(10)17-15(19)9-22-13-4-2-3-12(8-13)18(20)21/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide?
N-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide has a molecular weight of 412.18 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 7865526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).