3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-4-methoxybenzamide

C14H12ClIN2O2 — CID 1296785

IUPAC3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(I)c(C)n2)cc1Cl
InChIInChI=1S/C14H12ClIN2O2/c1-8-11(16)4-6-13(17-8)18-14(19)9-3-5-12(20-2)10(15)7-9/h3-7H,1-2H3,(H,17,18,19)
InChIKeyIWAUZTJINQFRDD-UHFFFAOYSA-N
MW402.62 g/mol
LogP3.91
Rot. Bonds3

About 3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-4-methoxybenzamide

3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-4-methoxybenzamide (PubChem CID 1296785) has the molecular formula C14H12ClIN2O2 and a molecular weight of 402.62 g/mol. Its IUPAC name is 3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-4-methoxybenzamide
PubChem CID1296785
Molecular FormulaC14H12ClIN2O2
Molecular Weight402.62 g/mol
Exact Mass401.96
IUPAC Name3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(I)c(C)n2)cc1Cl
InChIInChI=1S/C14H12ClIN2O2/c1-8-11(16)4-6-13(17-8)18-14(19)9-3-5-12(20-2)10(15)7-9/h3-7H,1-2H3,(H,17,18,19)
InChIKeyIWAUZTJINQFRDD-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

N-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide
CID 1396763
3-bromo-4-ethoxy-N-(5-iodo-6-methyl-2-pyridinyl)benzamide
CID 23095501
N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-3-chloro-4-methoxybenzamide
CID 1289437
3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide
CID 17313445
2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide
CID 19631637
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361583
N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide
CID 4509260
3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 2994955

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-4-methoxybenzamide?
The IUPAC name of 3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-4-methoxybenzamide (CID 1296785) is 3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-4-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-4-methoxybenzamide?
The canonical SMILES for 3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(I)c(C)n2)cc1Cl.
What is the InChIKey of 3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-4-methoxybenzamide?
The InChIKey is IWAUZTJINQFRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2O2/c1-8-11(16)4-6-13(17-8)18-14(19)9-3-5-12(20-2)10(15)7-9/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of 3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-4-methoxybenzamide?
3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-4-methoxybenzamide 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 3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-4-methoxybenzamide is sourced from PubChem (CID 1296785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).