N-(2-aminoethyl)-N-benzyl-3-iodobenzamide

C16H17IN2O — CID 104859550

IUPACN-(2-aminoethyl)-N-benzyl-3-iodobenzamide
SMILESNCCN(Cc1ccccc1)C(=O)c1cccc(I)c1
InChIInChI=1S/C16H17IN2O/c17-15-8-4-7-14(11-15)16(20)19(10-9-18)12-13-5-2-1-3-6-13/h1-8,11H,9-10,12,18H2
InChIKeyXZCIKZDUFVYHCF-UHFFFAOYSA-N
MW380.23 g/mol
LogP2.89
Rot. Bonds5

About N-(2-aminoethyl)-N-benzyl-3-iodobenzamide

N-(2-aminoethyl)-N-benzyl-3-iodobenzamide (PubChem CID 104859550) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-3-iodobenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-3-iodobenzamide
PubChem CID104859550
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC NameN-(2-aminoethyl)-N-benzyl-3-iodobenzamide
SMILESNCCN(Cc1ccccc1)C(=O)c1cccc(I)c1
InChIInChI=1S/C16H17IN2O/c17-15-8-4-7-14(11-15)16(20)19(10-9-18)12-13-5-2-1-3-6-13/h1-8,11H,9-10,12,18H2
InChIKeyXZCIKZDUFVYHCF-UHFFFAOYSA-N
XLogP2.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-benzyl-3-iodobenzamide
CID 107365856
N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide
CID 104859489
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide
CID 104859578
3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
CID 120648912
N-benzyl-N-(2-fluoroethyl)-3-methylbenzamide
CID 11500020
N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide
CID 104859557
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide
CID 55717328
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride
CID 120649019
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-3-iodobenzamide?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-3-iodobenzamide (CID 104859550) is N-(2-aminoethyl)-N-benzyl-3-iodobenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-3-iodobenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-3-iodobenzamide is NCCN(Cc1ccccc1)C(=O)c1cccc(I)c1.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-3-iodobenzamide?
The InChIKey is XZCIKZDUFVYHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c17-15-8-4-7-14(11-15)16(20)19(10-9-18)12-13-5-2-1-3-6-13/h1-8,11H,9-10,12,18H2.
What are the key properties of N-(2-aminoethyl)-N-benzyl-3-iodobenzamide?
N-(2-aminoethyl)-N-benzyl-3-iodobenzamide has a molecular weight of 380.23 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-3-iodobenzamide is sourced from PubChem (CID 104859550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).