N-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide

C16H17IN2O — CID 43124690

IUPACN-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)Nc2ccccc2I)c1
InChIInChI=1S/C16H17IN2O/c1-11(18-16-9-4-3-8-15(16)17)13-6-5-7-14(10-13)19-12(2)20/h3-11,18H,1-2H3,(H,19,20)
InChIKeyMOTUETSSSLHRDU-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.42
Rot. Bonds4

About N-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide

N-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide (PubChem CID 43124690) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is N-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide
PubChem CID43124690
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC NameN-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)Nc2ccccc2I)c1
InChIInChI=1S/C16H17IN2O/c1-11(18-16-9-4-3-8-15(16)17)13-6-5-7-14(10-13)19-12(2)20/h3-11,18H,1-2H3,(H,19,20)
InChIKeyMOTUETSSSLHRDU-UHFFFAOYSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-(2-fluoroanilino)ethyl]phenyl]acetamide
CID 43201351
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide
CID 43761396
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide
CID 63208430
N-[4-methyl-3-[1-(3-methylphenyl)ethylamino]phenyl]acetamide
CID 43789836
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[(1R)-1-(3-acetamidophenyl)ethyl]-2-hydroxybenzamide
CID 38518872
N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide
CID 71867003
N-[4-fluoro-3-[1-(3-methylphenyl)ethylamino]phenyl]acetamide
CID 43778944

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide (CID 43124690) is N-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)Nc2ccccc2I)c1.
What is the InChIKey of N-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide?
The InChIKey is MOTUETSSSLHRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c1-11(18-16-9-4-3-8-15(16)17)13-6-5-7-14(10-13)19-12(2)20/h3-11,18H,1-2H3,(H,19,20).
What are the key properties of N-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide?
N-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide has a molecular weight of 380.23 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide is sourced from PubChem (CID 43124690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).