N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide

C16H17IN2O — CID 62500805

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide
SMILESNCCc1ccc(CNC(=O)c2ccccc2I)cc1
InChIInChI=1S/C16H17IN2O/c17-15-4-2-1-3-14(15)16(20)19-11-13-7-5-12(6-8-13)9-10-18/h1-8H,9-11,18H2,(H,19,20)
InChIKeyVAWPFBAOLLRMIO-UHFFFAOYSA-N
MW380.23 g/mol
LogP2.72
Rot. Bonds5

About N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide

N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide (PubChem CID 62500805) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide
PubChem CID62500805
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide
SMILESNCCc1ccc(CNC(=O)c2ccccc2I)cc1
InChIInChI=1S/C16H17IN2O/c17-15-4-2-1-3-14(15)16(20)19-11-13-7-5-12(6-8-13)9-10-18/h1-8H,9-11,18H2,(H,19,20)
InChIKeyVAWPFBAOLLRMIO-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 52.72
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-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide
CID 62502652
2-iodo-N-[(4-nitrophenyl)methyl]benzamide
CID 47311873
N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide
CID 47059383
2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933632
2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 2688094
N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2-hydroxyphenyl)acetamide
CID 80722829
N-[(3-fluorophenyl)methyl]-2-iodobenzamide
CID 46447840
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
N-(benzylcarbamothioyl)-2-iodobenzamide
CID 2198373
2-iodo-N-(2-pyridin-4-ylethyl)benzamide
CID 61400553
N-(1-benzofuran-6-ylmethyl)-2-iodobenzamide
CID 166213000

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide (CID 62500805) is N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide is NCCc1ccc(CNC(=O)c2ccccc2I)cc1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide?
The InChIKey is VAWPFBAOLLRMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c17-15-4-2-1-3-14(15)16(20)19-11-13-7-5-12(6-8-13)9-10-18/h1-8H,9-11,18H2,(H,19,20).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide?
N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide has a molecular weight of 380.23 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide is sourced from PubChem (CID 62500805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).