N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide

C17H17IN2O2 — CID 28642305

IUPACN-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)c1ccccc1I
InChIInChI=1S/C17H17IN2O2/c18-15-9-5-4-8-14(15)17(22)20(11-10-16(19)21)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,21)
InChIKeySJBCWVSVUQKNKE-UHFFFAOYSA-N
MW408.24 g/mol
LogP2.81
Rot. Bonds6

About N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide

N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide (PubChem CID 28642305) has the molecular formula C17H17IN2O2 and a molecular weight of 408.24 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide
PubChem CID28642305
Molecular FormulaC17H17IN2O2
Molecular Weight408.24 g/mol
Exact Mass408.03
IUPAC NameN-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)c1ccccc1I
InChIInChI=1S/C17H17IN2O2/c18-15-9-5-4-8-14(15)17(22)20(11-10-16(19)21)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,21)
InChIKeySJBCWVSVUQKNKE-UHFFFAOYSA-N
XLogP2.81
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 52.81
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-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
N-benzyl-N-butyl-2-iodobenzamide
CID 141495475
N-(3-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide
CID 134003290
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide
CID 28642575
N',N'-dibenzylbutanediamide
CID 101024490
3-[benzyl-(2,2,2-trichloroacetyl)amino]propanamide
CID 154136275
3-[benzyl(prop-2-enoyl)amino]propanamide
CID 54875316
5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid
CID 28642443
3-[benzyl(ethylcarbamothioyl)amino]propanamide
CID 24540900
N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide
CID 63048716

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide (CID 28642305) is N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide is NC(=O)CCN(Cc1ccccc1)C(=O)c1ccccc1I.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide?
The InChIKey is SJBCWVSVUQKNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O2/c18-15-9-5-4-8-14(15)17(22)20(11-10-16(19)21)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,21).
What are the key properties of N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide?
N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide has a molecular weight of 408.24 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide is sourced from PubChem (CID 28642305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).