N-(3-aminopropyl)-N-benzyl-3-iodobenzamide

C17H19IN2O — CID 107365856

IUPACN-(3-aminopropyl)-N-benzyl-3-iodobenzamide
SMILESNCCCN(Cc1ccccc1)C(=O)c1cccc(I)c1
InChIInChI=1S/C17H19IN2O/c18-16-9-4-8-15(12-16)17(21)20(11-5-10-19)13-14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13,19H2
InChIKeyNJJXXYXHRJQOFV-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.28
Rot. Bonds6

About N-(3-aminopropyl)-N-benzyl-3-iodobenzamide

N-(3-aminopropyl)-N-benzyl-3-iodobenzamide (PubChem CID 107365856) has the molecular formula C17H19IN2O and a molecular weight of 394.26 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-3-iodobenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-3-iodobenzamide
PubChem CID107365856
Molecular FormulaC17H19IN2O
Molecular Weight394.26 g/mol
Exact Mass394.05
IUPAC NameN-(3-aminopropyl)-N-benzyl-3-iodobenzamide
SMILESNCCCN(Cc1ccccc1)C(=O)c1cccc(I)c1
InChIInChI=1S/C17H19IN2O/c18-16-9-4-8-15(12-16)17(21)20(11-5-10-19)13-14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13,19H2
InChIKeyNJJXXYXHRJQOFV-UHFFFAOYSA-N
XLogP3.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.28
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-(2-aminoethyl)-N-benzyl-3-iodobenzamide
CID 104859550
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
CID 120648912
N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride
CID 120649019
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride
CID 120649308
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide
CID 120648770
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 120648747
[4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid
CID 23877767
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-3-iodobenzamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-3-iodobenzamide (CID 107365856) is N-(3-aminopropyl)-N-benzyl-3-iodobenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-3-iodobenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-3-iodobenzamide is NCCCN(Cc1ccccc1)C(=O)c1cccc(I)c1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-3-iodobenzamide?
The InChIKey is NJJXXYXHRJQOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O/c18-16-9-4-8-15(12-16)17(21)20(11-5-10-19)13-14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13,19H2.
What are the key properties of N-(3-aminopropyl)-N-benzyl-3-iodobenzamide?
N-(3-aminopropyl)-N-benzyl-3-iodobenzamide has a molecular weight of 394.26 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-3-iodobenzamide is sourced from PubChem (CID 107365856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).