N-benzyl-2-iodo-N-propa-1,2-dienylbenzamide

C17H14INO — CID 86040490

IUPACN-benzyl-2-iodo-N-propa-1,2-dienylbenzamide
SMILESC=C=CN(Cc1ccccc1)C(=O)c1ccccc1I
InChIInChI=1S/C17H14INO/c1-2-12-19(13-14-8-4-3-5-9-14)17(20)15-10-6-7-11-16(15)18/h3-12H,1,13H2
InChIKeyPCHLKEFPEFJDGN-UHFFFAOYSA-N
MW375.21 g/mol
LogP4.23
Rot. Bonds4

About N-benzyl-2-iodo-N-propa-1,2-dienylbenzamide

N-benzyl-2-iodo-N-propa-1,2-dienylbenzamide (PubChem CID 86040490) has the molecular formula C17H14INO and a molecular weight of 375.21 g/mol. Its IUPAC name is N-benzyl-2-iodo-N-propa-1,2-dienylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-iodo-N-propa-1,2-dienylbenzamide
PubChem CID86040490
Molecular FormulaC17H14INO
Molecular Weight375.21 g/mol
Exact Mass375.01
IUPAC NameN-benzyl-2-iodo-N-propa-1,2-dienylbenzamide
SMILESC=C=CN(Cc1ccccc1)C(=O)c1ccccc1I
InChIInChI=1S/C17H14INO/c1-2-12-19(13-14-8-4-3-5-9-14)17(20)15-10-6-7-11-16(15)18/h3-12H,1,13H2
InChIKeyPCHLKEFPEFJDGN-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 54.23
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-[[2-[(benzylamino)methyl]phenyl]methyl]-2-iodo-N-propa-1,2-dienylbenzamide
CID 11431893
N-benzyl-N-[(1E)-buta-1,3-dienyl]-2-iodobenzamide
CID 14663797
N-[(2-iodophenyl)methyl]-N-propa-1,2-dienylacetamide
CID 86040463
2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid
CID 63651599
N-benzyl-N-butyl-2-iodobenzamide
CID 141495475
N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide
CID 28642305
benzyl(ethenyl)carbamic acid
CID 22377754
N-benzyl-2-iodo-N-(2-tributylstannylprop-2-enyl)benzamide
CID 25268227
N,N-bis(cyanomethyl)-2-iodobenzamide
CID 615773
N-[(1E)-buta-1,3-dienyl]-N-butyl-2-iodobenzamide
CID 11337195
2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 60631043
2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 47097163

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-iodo-N-propa-1,2-dienylbenzamide?
The IUPAC name of N-benzyl-2-iodo-N-propa-1,2-dienylbenzamide (CID 86040490) is N-benzyl-2-iodo-N-propa-1,2-dienylbenzamide.
What is the SMILES notation for N-benzyl-2-iodo-N-propa-1,2-dienylbenzamide?
The canonical SMILES for N-benzyl-2-iodo-N-propa-1,2-dienylbenzamide is C=C=CN(Cc1ccccc1)C(=O)c1ccccc1I.
What is the InChIKey of N-benzyl-2-iodo-N-propa-1,2-dienylbenzamide?
The InChIKey is PCHLKEFPEFJDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14INO/c1-2-12-19(13-14-8-4-3-5-9-14)17(20)15-10-6-7-11-16(15)18/h3-12H,1,13H2.
What are the key properties of N-benzyl-2-iodo-N-propa-1,2-dienylbenzamide?
N-benzyl-2-iodo-N-propa-1,2-dienylbenzamide has a molecular weight of 375.21 g/mol, XLogP of 4.23, 4 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-propa-1,2-dienylbenzamide is sourced from PubChem (CID 86040490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).