5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide

C14H12ClIN2O2 — CID 112820278

IUPAC5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)Nc1ccnc(C)c1
InChIInChI=1S/C14H12ClIN2O2/c1-8-5-9(3-4-17-8)18-14(19)10-6-11(15)12(16)7-13(10)20-2/h3-7H,1-2H3,(H,17,18,19)
InChIKeyOCJJEQGISQEPTK-UHFFFAOYSA-N
MW402.62 g/mol
LogP3.91
Rot. Bonds3

About 5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide

5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide (PubChem CID 112820278) has the molecular formula C14H12ClIN2O2 and a molecular weight of 402.62 g/mol. Its IUPAC name is 5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound Name5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide
PubChem CID112820278
Molecular FormulaC14H12ClIN2O2
Molecular Weight402.62 g/mol
Exact Mass401.96
IUPAC Name5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)Nc1ccnc(C)c1
InChIInChI=1S/C14H12ClIN2O2/c1-8-5-9(3-4-17-8)18-14(19)10-6-11(15)12(16)7-13(10)20-2/h3-7H,1-2H3,(H,17,18,19)
InChIKeyOCJJEQGISQEPTK-UHFFFAOYSA-N
XLogP3.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.62
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethoxy-4-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 110763310
5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide
CID 52577352
5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61394014
2,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 110761099
3,5-dichloro-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 110763061
2-methoxy-N-(2-methyl-4-pyridinyl)-4-propan-2-ylbenzamide
CID 110762949
2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 115950747
2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide
CID 103993823
2-amino-5-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 79235180
5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-iodo-2-methoxybenzamide
CID 34874419
5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55608636
5-chloro-N-[3-(3-cyanopropoxy)phenyl]-4-iodo-2-methoxybenzamide
CID 55878842

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide?
The IUPAC name of 5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide (CID 112820278) is 5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for 5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide?
The canonical SMILES for 5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide is COc1cc(I)c(Cl)cc1C(=O)Nc1ccnc(C)c1.
What is the InChIKey of 5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide?
The InChIKey is OCJJEQGISQEPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2O2/c1-8-5-9(3-4-17-8)18-14(19)10-6-11(15)12(16)7-13(10)20-2/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of 5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide?
5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide has a molecular weight of 402.62 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 112820278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).