N-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide

C16H17IN2O — CID 43761396

IUPACN-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(C)c2ccc(I)cc2)c1
InChIInChI=1S/C16H17IN2O/c1-11(13-6-8-14(17)9-7-13)18-15-4-3-5-16(10-15)19-12(2)20/h3-11,18H,1-2H3,(H,19,20)
InChIKeyNYNWOQMWMLSOGY-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.42
Rot. Bonds4

About N-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide

N-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide (PubChem CID 43761396) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is N-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide
PubChem CID43761396
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC NameN-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(C)c2ccc(I)cc2)c1
InChIInChI=1S/C16H17IN2O/c1-11(13-6-8-14(17)9-7-13)18-15-4-3-5-16(10-15)19-12(2)20/h3-11,18H,1-2H3,(H,19,20)
InChIKeyNYNWOQMWMLSOGY-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'}

Analyze N-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
N-[3-[1-(3,4-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43193756
acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide
CID 174839462
[3-[1-(4-chlorophenyl)ethylamino]phenyl]urea
CID 43744548
N-[3-[1-(2-methylphenyl)ethylamino]phenyl]acetamide
CID 43193741
methyl N-[3-(1-phenylethylamino)phenyl]carbamate
CID 60942216
N-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide
CID 43124690
N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetamide
CID 43193733
N-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide
CID 103930892
N-[3-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 43193722
[3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea
CID 43744617
methyl N-[4-[1-(4-iodophenyl)ethylamino]phenyl]carbamate
CID 43787990

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide?
The IUPAC name of N-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide (CID 43761396) is N-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(C)c2ccc(I)cc2)c1.
What is the InChIKey of N-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide?
The InChIKey is NYNWOQMWMLSOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c1-11(13-6-8-14(17)9-7-13)18-15-4-3-5-16(10-15)19-12(2)20/h3-11,18H,1-2H3,(H,19,20).
What are the key properties of N-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide?
N-[3-[1-(4-iodophenyl)ethylamino]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-(4-iodophenyl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 43761396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).