5-bromo-2-iodo-N-(pyridin-4-ylmethyl)benzamide

C13H10BrIN2O — CID 47099593

IUPAC5-bromo-2-iodo-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1cc(Br)ccc1I
InChIInChI=1S/C13H10BrIN2O/c14-10-1-2-12(15)11(7-10)13(18)17-8-9-3-5-16-6-4-9/h1-7H,8H2,(H,17,18)
InChIKeyYCAMBFGBBUYUGX-UHFFFAOYSA-N
MW417.04 g/mol
LogP3.38
Rot. Bonds3

About 5-bromo-2-iodo-N-(pyridin-4-ylmethyl)benzamide

5-bromo-2-iodo-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 47099593) has the molecular formula C13H10BrIN2O and a molecular weight of 417.04 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-(pyridin-4-ylmethyl)benzamide
PubChem CID47099593
Molecular FormulaC13H10BrIN2O
Molecular Weight417.04 g/mol
Exact Mass415.90
IUPAC Name5-bromo-2-iodo-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1cc(Br)ccc1I
InChIInChI=1S/C13H10BrIN2O/c14-10-1-2-12(15)11(7-10)13(18)17-8-9-3-5-16-6-4-9/h1-7H,8H2,(H,17,18)
InChIKeyYCAMBFGBBUYUGX-UHFFFAOYSA-N
XLogP3.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.04
LogP ≤ 53.38
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

5-bromo-2-iodo-N-[(4-nitrophenyl)methyl]benzamide
CID 60535857
5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103941177
5-bromo-N-ethyl-2-iodobenzamide
CID 47100033
5-bromo-2-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103721244
5-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-iodobenzamide
CID 114033134
5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 113227424
5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide
CID 103806278
5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide
CID 83058588
5-bromo-2-iodo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 54896855
5-bromo-2-iodo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 113246934
5-bromo-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 852717
4-[(5-bromo-2-iodobenzoyl)amino]butanoic acid
CID 43239229

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 5-bromo-2-iodo-N-(pyridin-4-ylmethyl)benzamide (CID 47099593) is 5-bromo-2-iodo-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-iodo-N-(pyridin-4-ylmethyl)benzamide is O=C(NCc1ccncc1)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-2-iodo-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is YCAMBFGBBUYUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrIN2O/c14-10-1-2-12(15)11(7-10)13(18)17-8-9-3-5-16-6-4-9/h1-7H,8H2,(H,17,18).
What are the key properties of 5-bromo-2-iodo-N-(pyridin-4-ylmethyl)benzamide?
5-bromo-2-iodo-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 417.04 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 47099593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).