N-[2-(5-chloro-2-pyridinyl)ethyl]-2-iodobenzamide

C14H12ClIN2O — CID 71416436

IUPACN-[2-(5-chloro-2-pyridinyl)ethyl]-2-iodobenzamide
SMILESO=C(NCCc1ccc(Cl)cn1)c1ccccc1I
InChIInChI=1S/C14H12ClIN2O/c15-10-5-6-11(18-9-10)7-8-17-14(19)12-3-1-2-4-13(12)16/h1-6,9H,7-8H2,(H,17,19)
InChIKeyKUUUBRUUDWZAKW-UHFFFAOYSA-N
MW386.62 g/mol
LogP3.31
Rot. Bonds4

About N-[2-(5-chloro-2-pyridinyl)ethyl]-2-iodobenzamide

N-[2-(5-chloro-2-pyridinyl)ethyl]-2-iodobenzamide (PubChem CID 71416436) has the molecular formula C14H12ClIN2O and a molecular weight of 386.62 g/mol. Its IUPAC name is N-[2-(5-chloro-2-pyridinyl)ethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-pyridinyl)ethyl]-2-iodobenzamide
PubChem CID71416436
Molecular FormulaC14H12ClIN2O
Molecular Weight386.62 g/mol
Exact Mass385.97
IUPAC NameN-[2-(5-chloro-2-pyridinyl)ethyl]-2-iodobenzamide
SMILESO=C(NCCc1ccc(Cl)cn1)c1ccccc1I
InChIInChI=1S/C14H12ClIN2O/c15-10-5-6-11(18-9-10)7-8-17-14(19)12-3-1-2-4-13(12)16/h1-6,9H,7-8H2,(H,17,19)
InChIKeyKUUUBRUUDWZAKW-UHFFFAOYSA-N
XLogP3.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.62
LogP ≤ 53.31
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-iodo-N-(2-pyridin-4-ylethyl)benzamide
CID 61400553
N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide
CID 47059383
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26594284
N-[2-[(2-iodobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide
CID 8990901
2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
CID 44602648
N-(3-chlorobutyl)-2-iodobenzamide
CID 114301785
5-chloro-2-hydrazinyl-N-(2-pyridin-2-ylethyl)benzamide
CID 62236376
4-[(2-iodobenzoyl)amino]butanoic acid
CID 16775783
N-(5-hydroxypentyl)-2-iodobenzamide
CID 107317870
N-(3-acetamidopropyl)-2-iodobenzamide
CID 38450093
methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate
CID 108571243

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-pyridinyl)ethyl]-2-iodobenzamide?
The IUPAC name of N-[2-(5-chloro-2-pyridinyl)ethyl]-2-iodobenzamide (CID 71416436) is N-[2-(5-chloro-2-pyridinyl)ethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-(5-chloro-2-pyridinyl)ethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-(5-chloro-2-pyridinyl)ethyl]-2-iodobenzamide is O=C(NCCc1ccc(Cl)cn1)c1ccccc1I.
What is the InChIKey of N-[2-(5-chloro-2-pyridinyl)ethyl]-2-iodobenzamide?
The InChIKey is KUUUBRUUDWZAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2O/c15-10-5-6-11(18-9-10)7-8-17-14(19)12-3-1-2-4-13(12)16/h1-6,9H,7-8H2,(H,17,19).
What are the key properties of N-[2-(5-chloro-2-pyridinyl)ethyl]-2-iodobenzamide?
N-[2-(5-chloro-2-pyridinyl)ethyl]-2-iodobenzamide has a molecular weight of 386.62 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-pyridinyl)ethyl]-2-iodobenzamide is sourced from PubChem (CID 71416436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).