(2R)-N-(4-iodophenyl)-2-phenoxybutanamide

C16H16INO2 — CID 1369955

IUPAC(2R)-N-(4-iodophenyl)-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C16H16INO2/c1-2-15(20-14-6-4-3-5-7-14)16(19)18-13-10-8-12(17)9-11-13/h3-11,15H,2H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyFAYQDWJDTQBWHA-OAHLLOKOSA-N
MW381.21 g/mol
LogP4.09
Rot. Bonds5

About (2R)-N-(4-iodophenyl)-2-phenoxybutanamide

(2R)-N-(4-iodophenyl)-2-phenoxybutanamide (PubChem CID 1369955) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is (2R)-N-(4-iodophenyl)-2-phenoxybutanamide.

Molecular Properties

Compound Name(2R)-N-(4-iodophenyl)-2-phenoxybutanamide
PubChem CID1369955
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC Name(2R)-N-(4-iodophenyl)-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C16H16INO2/c1-2-15(20-14-6-4-3-5-7-14)16(19)18-13-10-8-12(17)9-11-13/h3-11,15H,2H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyFAYQDWJDTQBWHA-OAHLLOKOSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 54.09
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)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide
CID 3643695
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
CID 2944488
(2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide
CID 30396463
N-[4-(2-ethoxyethoxy)phenyl]-2-phenoxybutanamide
CID 17130611
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066992
(2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 41491672
N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide
CID 4949910
(2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide
CID 7369079
N-(3,5-dichlorophenyl)-2-phenoxybutanamide
CID 4099409
(2R)-2-phenoxy-N-(4-piperidin-1-ylphenyl)butanamide
CID 7409300

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-iodophenyl)-2-phenoxybutanamide?
The IUPAC name of (2R)-N-(4-iodophenyl)-2-phenoxybutanamide (CID 1369955) is (2R)-N-(4-iodophenyl)-2-phenoxybutanamide.
What is the SMILES notation for (2R)-N-(4-iodophenyl)-2-phenoxybutanamide?
The canonical SMILES for (2R)-N-(4-iodophenyl)-2-phenoxybutanamide is CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of (2R)-N-(4-iodophenyl)-2-phenoxybutanamide?
The InChIKey is FAYQDWJDTQBWHA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16INO2/c1-2-15(20-14-6-4-3-5-7-14)16(19)18-13-10-8-12(17)9-11-13/h3-11,15H,2H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-N-(4-iodophenyl)-2-phenoxybutanamide?
(2R)-N-(4-iodophenyl)-2-phenoxybutanamide has a molecular weight of 381.21 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-iodophenyl)-2-phenoxybutanamide is sourced from PubChem (CID 1369955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).