(2S)-2-(2,4-dichlorophenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)propanamide

C15H13Cl2IN2O2 — CID 2233489

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)propanamide
SMILESCc1nc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1I
InChIInChI=1S/C15H13Cl2IN2O2/c1-8-12(18)4-6-14(19-8)20-15(21)9(2)22-13-5-3-10(16)7-11(13)17/h3-7,9H,1-2H3,(H,19,20,21)/t9-/m0/s1
InChIKeyVMQGYOVPZFZOQZ-VIFPVBQESA-N
MW451.09 g/mol
LogP4.71
Rot. Bonds4

About (2S)-2-(2,4-dichlorophenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)propanamide

(2S)-2-(2,4-dichlorophenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)propanamide (PubChem CID 2233489) has the molecular formula C15H13Cl2IN2O2 and a molecular weight of 451.09 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)propanamide
PubChem CID2233489
Molecular FormulaC15H13Cl2IN2O2
Molecular Weight451.09 g/mol
Exact Mass449.94
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)propanamide
SMILESCc1nc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1I
InChIInChI=1S/C15H13Cl2IN2O2/c1-8-12(18)4-6-14(19-8)20-15(21)9(2)22-13-5-3-10(16)7-11(13)17/h3-7,9H,1-2H3,(H,19,20,21)/t9-/m0/s1
InChIKeyVMQGYOVPZFZOQZ-VIFPVBQESA-N
XLogP4.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.09
LogP ≤ 54.71
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-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2939243
(2S)-2-(2,4-dichlorophenoxy)-N-quinolin-2-ylpropanamide
CID 1075192
2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide
CID 141112918
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 100647396
2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 119033150
(2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide
CID 1094229
(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
CID 672613
2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide
CID 19631637
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7939457
(2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 6922800

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)propanamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)propanamide (CID 2233489) is (2S)-2-(2,4-dichlorophenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)propanamide is Cc1nc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1I.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)propanamide?
The InChIKey is VMQGYOVPZFZOQZ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13Cl2IN2O2/c1-8-12(18)4-6-14(19-8)20-15(21)9(2)22-13-5-3-10(16)7-11(13)17/h3-7,9H,1-2H3,(H,19,20,21)/t9-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)propanamide?
(2S)-2-(2,4-dichlorophenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)propanamide has a molecular weight of 451.09 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 2233489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).