3-(3-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide

C13H14INO3 — CID 44581187

IUPAC3-(3-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide
SMILESO=C(CCc1cccc(I)c1)N[C@H]1CCOC1=O
InChIInChI=1S/C13H14INO3/c14-10-3-1-2-9(8-10)4-5-12(16)15-11-6-7-18-13(11)17/h1-3,8,11H,4-7H2,(H,15,16)/t11-/m0/s1
InChIKeyFCNAYVIRACTURT-NSHDSACASA-N
MW359.16 g/mol
LogP1.66
Rot. Bonds4

About 3-(3-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide

3-(3-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide (PubChem CID 44581187) has the molecular formula C13H14INO3 and a molecular weight of 359.16 g/mol. Its IUPAC name is 3-(3-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(3-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide
PubChem CID44581187
Molecular FormulaC13H14INO3
Molecular Weight359.16 g/mol
Exact Mass359.00
IUPAC Name3-(3-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide
SMILESO=C(CCc1cccc(I)c1)N[C@H]1CCOC1=O
InChIInChI=1S/C13H14INO3/c14-10-3-1-2-9(8-10)4-5-12(16)15-11-6-7-18-13(11)17/h1-3,8,11H,4-7H2,(H,15,16)/t11-/m0/s1
InChIKeyFCNAYVIRACTURT-NSHDSACASA-N
XLogP1.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.16
LogP ≤ 51.66
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-(Tetrahydro-2-oxo-3-furanyl)benzamide
CID 97839
S-Oopp
CID 25227533
beta-Oxo-N-[(3S)-tetrahydro-2-oxo-3-furanyl]benzenebutanamide
CID 11536248
Acetyl-L-phenylalanine ethyl ester
CID 94229
Ethyl 2-[(2-phenylacetyl)amino]acetate
CID 239006
N-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide
CID 11550533
N-(4-bromophenylacetanoyl)-L-homoserine lactone
CID 11637972
Ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 15061670
(S)-3-(4-bromophenyl)-N-(2-oxotetrahydrofuran-3-yl)propanamide
CID 24179234
(S)-2-(4-iodophenyl)-N-(2-oxotetrahydrofuran-3-yl)acetamide
CID 25014705
(S)-N-(2-oxotetrahydrofuran-3-yl)-2-(4-(trifluoromethyl)phenyl)acetamide
CID 25014781
N-[(3S)-2-oxooxolan-3-yl]-2-(4-phenylphenyl)acetamide
CID 44449542

Frequently Asked Questions

What is the IUPAC name of 3-(3-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide?
The IUPAC name of 3-(3-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide (CID 44581187) is 3-(3-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide.
What is the SMILES notation for 3-(3-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide?
The canonical SMILES for 3-(3-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide is O=C(CCc1cccc(I)c1)N[C@H]1CCOC1=O.
What is the InChIKey of 3-(3-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide?
The InChIKey is FCNAYVIRACTURT-NSHDSACASA-N. The full InChI is InChI=1S/C13H14INO3/c14-10-3-1-2-9(8-10)4-5-12(16)15-11-6-7-18-13(11)17/h1-3,8,11H,4-7H2,(H,15,16)/t11-/m0/s1.
What are the key properties of 3-(3-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide?
3-(3-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide has a molecular weight of 359.16 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide is sourced from PubChem (CID 44581187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).