methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate

C12H13FINO3 — CID 103493227

IUPACmethyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate
SMILESCOC(=O)C(I)CNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C12H13FINO3/c1-18-12(17)10(14)7-15-11(16)6-8-3-2-4-9(13)5-8/h2-5,10H,6-7H2,1H3,(H,15,16)
InChIKeyDTXVOKDFYXHQML-UHFFFAOYSA-N
MW365.14 g/mol
LogP1.46
Rot. Bonds5

About methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate

methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate (PubChem CID 103493227) has the molecular formula C12H13FINO3 and a molecular weight of 365.14 g/mol. Its IUPAC name is methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate
PubChem CID103493227
Molecular FormulaC12H13FINO3
Molecular Weight365.14 g/mol
Exact Mass364.99
IUPAC Namemethyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate
SMILESCOC(=O)C(I)CNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C12H13FINO3/c1-18-12(17)10(14)7-15-11(16)6-8-3-2-4-9(13)5-8/h2-5,10H,6-7H2,1H3,(H,15,16)
InChIKeyDTXVOKDFYXHQML-UHFFFAOYSA-N
XLogP1.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.14
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[2-(3,4-difluorophenyl)acetyl]amino]-2-iodopropanoate
CID 103493208
N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide
CID 63767831
N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide
CID 107157057
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
CID 151755820
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide
CID 106118115
[(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium
CID 7020806
methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate
CID 103879292
2-(3-fluorophenyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712162
2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 43006555
N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide
CID 119112923

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate?
The IUPAC name of methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate (CID 103493227) is methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate.
What is the SMILES notation for methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate?
The canonical SMILES for methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate is COC(=O)C(I)CNC(=O)Cc1cccc(F)c1.
What is the InChIKey of methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate?
The InChIKey is DTXVOKDFYXHQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FINO3/c1-18-12(17)10(14)7-15-11(16)6-8-3-2-4-9(13)5-8/h2-5,10H,6-7H2,1H3,(H,15,16).
What are the key properties of methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate?
methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate has a molecular weight of 365.14 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate is sourced from PubChem (CID 103493227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).