(2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide

C17H17ClINO2 — CID 92647108

IUPAC(2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
SMILESCC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C17H17ClINO2/c1-3-15(22-16-7-5-4-6-13(16)18)17(21)20-14-9-8-12(19)10-11(14)2/h4-10,15H,3H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyBUPARLVSEREMQY-OAHLLOKOSA-N
MW429.69 g/mol
LogP5.05
Rot. Bonds5

About (2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide

(2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide (PubChem CID 92647108) has the molecular formula C17H17ClINO2 and a molecular weight of 429.69 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
PubChem CID92647108
Molecular FormulaC17H17ClINO2
Molecular Weight429.69 g/mol
Exact Mass429.00
IUPAC Name(2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
SMILESCC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C17H17ClINO2/c1-3-15(22-16-7-5-4-6-13(16)18)17(21)20-14-9-8-12(19)10-11(14)2/h4-10,15H,3H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyBUPARLVSEREMQY-OAHLLOKOSA-N
XLogP5.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.69
LogP ≤ 55.05
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

(2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide
CID 30396590
(2R)-2-(2-chlorophenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 30396975
(2R)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573433
(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573436
(2S)-2-(2-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide
CID 92676285
2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
CID 43877200
N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 78843004
N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 17034271
2-(2-chlorophenoxy)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53284308
N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide
CID 4931772
N-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 132761505
2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
CID 46771310

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide (CID 92647108) is (2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide is CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(I)cc1C.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide?
The InChIKey is BUPARLVSEREMQY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17ClINO2/c1-3-15(22-16-7-5-4-6-13(16)18)17(21)20-14-9-8-12(19)10-11(14)2/h4-10,15H,3H2,1-2H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide?
(2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide has a molecular weight of 429.69 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide is sourced from PubChem (CID 92647108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).