(2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide

C20H18INO2 — CID 30396463

IUPAC(2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide
SMILESCC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C20H18INO2/c1-2-18(20(23)22-16-12-10-15(21)11-13-16)24-19-9-5-7-14-6-3-4-8-17(14)19/h3-13,18H,2H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyFESHMKOUVRWILH-SFHVURJKSA-N
MW431.27 g/mol
LogP5.24
Rot. Bonds5

About (2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide

(2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide (PubChem CID 30396463) has the molecular formula C20H18INO2 and a molecular weight of 431.27 g/mol. Its IUPAC name is (2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide
PubChem CID30396463
Molecular FormulaC20H18INO2
Molecular Weight431.27 g/mol
Exact Mass431.04
IUPAC Name(2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide
SMILESCC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C20H18INO2/c1-2-18(20(23)22-16-12-10-15(21)11-13-16)24-19-9-5-7-14-6-3-4-8-17(14)19/h3-13,18H,2H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyFESHMKOUVRWILH-SFHVURJKSA-N
XLogP5.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.27
LogP ≤ 55.24
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

(2S)-N-(4-bromophenyl)-2-naphthalen-1-yloxybutanamide
CID 30387662
(2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide
CID 92683938
(2R)-2-naphthalen-1-yloxy-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 92681695
(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203
(2R)-N-(3-acetamidophenyl)-2-naphthalen-1-yloxybutanamide
CID 92671782
(2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide
CID 92680294
N-(3-fluorophenyl)-2-naphthalen-1-yloxybutanamide
CID 46770418
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide
CID 46771281
(2R)-N-(4-iodophenyl)-2-phenoxybutanamide
CID 1369955
(2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 94018722
(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039
methyl 2-chloro-5-(2-naphthalen-1-yloxybutanoylamino)benzoate
CID 43915723

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide?
The IUPAC name of (2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide (CID 30396463) is (2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for (2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for (2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide is CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of (2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide?
The InChIKey is FESHMKOUVRWILH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18INO2/c1-2-18(20(23)22-16-12-10-15(21)11-13-16)24-19-9-5-7-14-6-3-4-8-17(14)19/h3-13,18H,2H2,1H3,(H,22,23)/t18-/m0/s1.
What are the key properties of (2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide?
(2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide has a molecular weight of 431.27 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 30396463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).