N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide

C14H10ClIN2O4 — CID 35987063

IUPACN-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide
SMILESO=C(COc1ccc(I)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10ClIN2O4/c15-12-6-3-10(7-13(12)18(20)21)17-14(19)8-22-11-4-1-9(16)2-5-11/h1-7H,8H2,(H,17,19)
InChIKeySJAIMLFBPUSKRA-UHFFFAOYSA-N
MW432.60 g/mol
LogP3.87
Rot. Bonds5

About N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide

N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide (PubChem CID 35987063) has the molecular formula C14H10ClIN2O4 and a molecular weight of 432.60 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide
PubChem CID35987063
Molecular FormulaC14H10ClIN2O4
Molecular Weight432.60 g/mol
Exact Mass431.94
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide
SMILESO=C(COc1ccc(I)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10ClIN2O4/c15-12-6-3-10(7-13(12)18(20)21)17-14(19)8-22-11-4-1-9(16)2-5-11/h1-7H,8H2,(H,17,19)
InChIKeySJAIMLFBPUSKRA-UHFFFAOYSA-N
XLogP3.87
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.60
LogP ≤ 53.87
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-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide
CID 19173108
N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide
CID 7707047
N-(4-chloro-3-nitrophenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19173109
methyl 2-[4-[2-(4-chloro-3-nitroanilino)-2-oxoethoxy]phenyl]acetate
CID 7695259
N-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 23464321
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 1340842
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-4-nitrophenyl]acetamide
CID 4535018
ethyl N-[3-[2-(4-chloro-3-nitroanilino)-2-oxoethoxy]phenyl]carbamate
CID 29183038
N-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide
CID 103606725
N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide
CID 108807182
2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 1185944

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide (CID 35987063) is N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide is O=C(COc1ccc(I)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide?
The InChIKey is SJAIMLFBPUSKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClIN2O4/c15-12-6-3-10(7-13(12)18(20)21)17-14(19)8-22-11-4-1-9(16)2-5-11/h1-7H,8H2,(H,17,19).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide?
N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide has a molecular weight of 432.60 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide is sourced from PubChem (CID 35987063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).