2-iodo-N-(2-pyridin-4-ylethyl)benzamide

C14H13IN2O — CID 61400553

IUPAC2-iodo-N-(2-pyridin-4-ylethyl)benzamide
SMILESO=C(NCCc1ccncc1)c1ccccc1I
InChIInChI=1S/C14H13IN2O/c15-13-4-2-1-3-12(13)14(18)17-10-7-11-5-8-16-9-6-11/h1-6,8-9H,7,10H2,(H,17,18)
InChIKeyPNOBEUBKAHWOKO-UHFFFAOYSA-N
MW352.18 g/mol
LogP2.66
Rot. Bonds4

About 2-iodo-N-(2-pyridin-4-ylethyl)benzamide

2-iodo-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 61400553) has the molecular formula C14H13IN2O and a molecular weight of 352.18 g/mol. Its IUPAC name is 2-iodo-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID61400553
Molecular FormulaC14H13IN2O
Molecular Weight352.18 g/mol
Exact Mass352.01
IUPAC Name2-iodo-N-(2-pyridin-4-ylethyl)benzamide
SMILESO=C(NCCc1ccncc1)c1ccccc1I
InChIInChI=1S/C14H13IN2O/c15-13-4-2-1-3-12(13)14(18)17-10-7-11-5-8-16-9-6-11/h1-6,8-9H,7,10H2,(H,17,18)
InChIKeyPNOBEUBKAHWOKO-UHFFFAOYSA-N
XLogP2.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 52.66
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-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide
CID 47059383
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26594284
2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263740
3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82829166
2-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 60903757
2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 60914586
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
CID 62661709
N-[2-(5-chloro-2-pyridinyl)ethyl]-2-iodobenzamide
CID 71416436
4-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81242442
4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide
CID 114039090

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 2-iodo-N-(2-pyridin-4-ylethyl)benzamide (CID 61400553) is 2-iodo-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 2-iodo-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 2-iodo-N-(2-pyridin-4-ylethyl)benzamide is O=C(NCCc1ccncc1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is PNOBEUBKAHWOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O/c15-13-4-2-1-3-12(13)14(18)17-10-7-11-5-8-16-9-6-11/h1-6,8-9H,7,10H2,(H,17,18).
What are the key properties of 2-iodo-N-(2-pyridin-4-ylethyl)benzamide?
2-iodo-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 352.18 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 61400553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).