N-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide

C15H14ClIN2O2 — CID 43327290

IUPACN-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide
SMILESCC(Oc1ccc(I)cc1)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C15H14ClIN2O2/c1-9(21-12-5-3-11(17)4-6-12)15(20)19-14-8-10(16)2-7-13(14)18/h2-9H,18H2,1H3,(H,19,20)
InChIKeySKUJURRLGXUANR-UHFFFAOYSA-N
MW416.65 g/mol
LogP3.93
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide

N-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide (PubChem CID 43327290) has the molecular formula C15H14ClIN2O2 and a molecular weight of 416.65 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide
PubChem CID43327290
Molecular FormulaC15H14ClIN2O2
Molecular Weight416.65 g/mol
Exact Mass415.98
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide
SMILESCC(Oc1ccc(I)cc1)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C15H14ClIN2O2/c1-9(21-12-5-3-11(17)4-6-12)15(20)19-14-8-10(16)2-7-13(14)18/h2-9H,18H2,1H3,(H,19,20)
InChIKeySKUJURRLGXUANR-UHFFFAOYSA-N
XLogP3.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.65
LogP ≤ 53.93
H-Bond Donors ≤ 52
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

N-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide
CID 43080501
N-(3-amino-2-methylphenyl)-2-(4-iodophenoxy)propanamide
CID 43327286
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenoxy)propanamide
CID 43078576
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82005140
(2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 2204043
(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 7961263
N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 43554689
(2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238690
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide
CID 43274945

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide (CID 43327290) is N-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide is CC(Oc1ccc(I)cc1)C(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide?
The InChIKey is SKUJURRLGXUANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIN2O2/c1-9(21-12-5-3-11(17)4-6-12)15(20)19-14-8-10(16)2-7-13(14)18/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide?
N-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide has a molecular weight of 416.65 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide is sourced from PubChem (CID 43327290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).