N-benzyl-2-iodo-N-(2-tributylstannylprop-2-enyl)benzamide

C29H42INOSn — CID 25268227

IUPACN-benzyl-2-iodo-N-(2-tributylstannylprop-2-enyl)benzamide
SMILESC=C(CN(Cc1ccccc1)C(=O)c1ccccc1I)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C17H15INO.3C4H9.Sn/c1-2-12-19(13-14-8-4-3-5-9-14)17(20)15-10-6-7-11-16(15)18;3*1-3-4-2;/h3-11H,1,12-13H2;3*1,3-4H2,2H3;
InChIKeyZXNMUADSSKVHIH-UHFFFAOYSA-N
MW666.28 g/mol
LogP8.88
Rot. Bonds15

About N-benzyl-2-iodo-N-(2-tributylstannylprop-2-enyl)benzamide

N-benzyl-2-iodo-N-(2-tributylstannylprop-2-enyl)benzamide (PubChem CID 25268227) has the molecular formula C29H42INOSn and a molecular weight of 666.28 g/mol. Its IUPAC name is N-benzyl-2-iodo-N-(2-tributylstannylprop-2-enyl)benzamide.

Molecular Properties

Compound NameN-benzyl-2-iodo-N-(2-tributylstannylprop-2-enyl)benzamide
PubChem CID25268227
Molecular FormulaC29H42INOSn
Molecular Weight666.28 g/mol
Exact Mass667.13
IUPAC NameN-benzyl-2-iodo-N-(2-tributylstannylprop-2-enyl)benzamide
SMILESC=C(CN(Cc1ccccc1)C(=O)c1ccccc1I)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C17H15INO.3C4H9.Sn/c1-2-12-19(13-14-8-4-3-5-9-14)17(20)15-10-6-7-11-16(15)18;3*1-3-4-2;/h3-11H,1,12-13H2;3*1,3-4H2,2H3;
InChIKeyZXNMUADSSKVHIH-UHFFFAOYSA-N
XLogP8.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.28
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(2-tributylstannylprop-2-enyl)benzamide
CID 25267872
N-benzyl-N-butyl-2-iodobenzamide
CID 141495475
N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide
CID 28642305
2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid
CID 63651599
N-benzyl-2-iodo-N-propa-1,2-dienylbenzamide
CID 86040490
N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide
CID 61400671
N-benzyl-N-[(1E)-buta-1,3-dienyl]-2-iodobenzamide
CID 14663797
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide
CID 79668481
N-benzyl-N-dodecyl-2-methylprop-2-enamide
CID 141486609
N-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide
CID 43459852
N-benzyl-N-butylpropanamide
CID 12502571
N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42657096

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-iodo-N-(2-tributylstannylprop-2-enyl)benzamide?
The IUPAC name of N-benzyl-2-iodo-N-(2-tributylstannylprop-2-enyl)benzamide (CID 25268227) is N-benzyl-2-iodo-N-(2-tributylstannylprop-2-enyl)benzamide.
What is the SMILES notation for N-benzyl-2-iodo-N-(2-tributylstannylprop-2-enyl)benzamide?
The canonical SMILES for N-benzyl-2-iodo-N-(2-tributylstannylprop-2-enyl)benzamide is C=C(CN(Cc1ccccc1)C(=O)c1ccccc1I)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of N-benzyl-2-iodo-N-(2-tributylstannylprop-2-enyl)benzamide?
The InChIKey is ZXNMUADSSKVHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15INO.3C4H9.Sn/c1-2-12-19(13-14-8-4-3-5-9-14)17(20)15-10-6-7-11-16(15)18;3*1-3-4-2;/h3-11H,1,12-13H2;3*1,3-4H2,2H3;.
What are the key properties of N-benzyl-2-iodo-N-(2-tributylstannylprop-2-enyl)benzamide?
N-benzyl-2-iodo-N-(2-tributylstannylprop-2-enyl)benzamide has a molecular weight of 666.28 g/mol, XLogP of 8.88, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-iodo-N-(2-tributylstannylprop-2-enyl)benzamide is sourced from PubChem (CID 25268227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).