N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide

C16H17IN2O2 — CID 43327303

IUPACN-(2-aminophenyl)-4-(4-iodophenoxy)butanamide
SMILESNc1ccccc1NC(=O)CCCOc1ccc(I)cc1
InChIInChI=1S/C16H17IN2O2/c17-12-7-9-13(10-8-12)21-11-3-6-16(20)19-15-5-2-1-4-14(15)18/h1-2,4-5,7-10H,3,6,11,18H2,(H,19,20)
InChIKeyYXLADWRYQJSPIN-UHFFFAOYSA-N
MW396.23 g/mol
LogP3.67
Rot. Bonds6

About N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide

N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide (PubChem CID 43327303) has the molecular formula C16H17IN2O2 and a molecular weight of 396.23 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(4-iodophenoxy)butanamide
PubChem CID43327303
Molecular FormulaC16H17IN2O2
Molecular Weight396.23 g/mol
Exact Mass396.03
IUPAC NameN-(2-aminophenyl)-4-(4-iodophenoxy)butanamide
SMILESNc1ccccc1NC(=O)CCCOc1ccc(I)cc1
InChIInChI=1S/C16H17IN2O2/c17-12-7-9-13(10-8-12)21-11-3-6-16(20)19-15-5-2-1-4-14(15)18/h1-2,4-5,7-10H,3,6,11,18H2,(H,19,20)
InChIKeyYXLADWRYQJSPIN-UHFFFAOYSA-N
XLogP3.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride
CID 119422856
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide
CID 82034361
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide
CID 28515757
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide
CID 82955375
N-(2-aminophenyl)-3-(4-chloro-3-fluorophenoxy)propanamide
CID 82717901
N-(2-aminophenyl)-2-(4-chlorophenoxy)acetamide
CID 16786707
N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
CID 17131186
4-(4-ethoxyphenoxy)-N-(2-methylphenyl)butanamide
CID 7946732

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide?
The IUPAC name of N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide (CID 43327303) is N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide?
The canonical SMILES for N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide is Nc1ccccc1NC(=O)CCCOc1ccc(I)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide?
The InChIKey is YXLADWRYQJSPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O2/c17-12-7-9-13(10-8-12)21-11-3-6-16(20)19-15-5-2-1-4-14(15)18/h1-2,4-5,7-10H,3,6,11,18H2,(H,19,20).
What are the key properties of N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide?
N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide has a molecular weight of 396.23 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide is sourced from PubChem (CID 43327303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).