2-bromo-5-iodo-N-(1-pyridin-4-ylethyl)benzamide

C14H12BrIN2O — CID 103993717

IUPAC2-bromo-5-iodo-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(I)ccc1Br)c1ccncc1
InChIInChI=1S/C14H12BrIN2O/c1-9(10-4-6-17-7-5-10)18-14(19)12-8-11(16)2-3-13(12)15/h2-9H,1H3,(H,18,19)
InChIKeyLVZSYCQEZRMYDQ-UHFFFAOYSA-N
MW431.07 g/mol
LogP3.94
Rot. Bonds3

About 2-bromo-5-iodo-N-(1-pyridin-4-ylethyl)benzamide

2-bromo-5-iodo-N-(1-pyridin-4-ylethyl)benzamide (PubChem CID 103993717) has the molecular formula C14H12BrIN2O and a molecular weight of 431.07 g/mol. Its IUPAC name is 2-bromo-5-iodo-N-(1-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-iodo-N-(1-pyridin-4-ylethyl)benzamide
PubChem CID103993717
Molecular FormulaC14H12BrIN2O
Molecular Weight431.07 g/mol
Exact Mass429.92
IUPAC Name2-bromo-5-iodo-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(I)ccc1Br)c1ccncc1
InChIInChI=1S/C14H12BrIN2O/c1-9(10-4-6-17-7-5-10)18-14(19)12-8-11(16)2-3-13(12)15/h2-9H,1H3,(H,18,19)
InChIKeyLVZSYCQEZRMYDQ-UHFFFAOYSA-N
XLogP3.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.07
LogP ≤ 53.94
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

2-bromo-5-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103989737
methyl (2S)-2-[(2-bromo-5-iodobenzoyl)amino]propanoate
CID 103994280
2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide
CID 1019458
3-[(2-bromo-5-iodobenzoyl)amino]-4-methylpentanoic acid
CID 114027480
4-amino-2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 107794749
2-bromo-N-(1-bromo-4-methylpentan-3-yl)-5-iodobenzamide
CID 106355270
methyl 3-[(2-bromo-5-iodobenzoyl)amino]butanoate
CID 113362958
4-amino-3-bromo-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 81409737
2,4-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 43006008
2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
CID 114343947
2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 40585288
2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 2970246

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodo-N-(1-pyridin-4-ylethyl)benzamide?
The IUPAC name of 2-bromo-5-iodo-N-(1-pyridin-4-ylethyl)benzamide (CID 103993717) is 2-bromo-5-iodo-N-(1-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 2-bromo-5-iodo-N-(1-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 2-bromo-5-iodo-N-(1-pyridin-4-ylethyl)benzamide is CC(NC(=O)c1cc(I)ccc1Br)c1ccncc1.
What is the InChIKey of 2-bromo-5-iodo-N-(1-pyridin-4-ylethyl)benzamide?
The InChIKey is LVZSYCQEZRMYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrIN2O/c1-9(10-4-6-17-7-5-10)18-14(19)12-8-11(16)2-3-13(12)15/h2-9H,1H3,(H,18,19).
What are the key properties of 2-bromo-5-iodo-N-(1-pyridin-4-ylethyl)benzamide?
2-bromo-5-iodo-N-(1-pyridin-4-ylethyl)benzamide has a molecular weight of 431.07 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-iodo-N-(1-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 103993717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).