methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate

C11H11FINO3 — CID 103493166

IUPACmethyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate
SMILESCOC(=O)C(I)CNC(=O)c1ccccc1F
InChIInChI=1S/C11H11FINO3/c1-17-11(16)9(13)6-14-10(15)7-4-2-3-5-8(7)12/h2-5,9H,6H2,1H3,(H,14,15)
InChIKeyDVYVZIXVJBTPEO-UHFFFAOYSA-N
MW351.12 g/mol
LogP1.53
Rot. Bonds4

About methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate

methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate (PubChem CID 103493166) has the molecular formula C11H11FINO3 and a molecular weight of 351.12 g/mol. Its IUPAC name is methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate
PubChem CID103493166
Molecular FormulaC11H11FINO3
Molecular Weight351.12 g/mol
Exact Mass350.98
IUPAC Namemethyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate
SMILESCOC(=O)C(I)CNC(=O)c1ccccc1F
InChIInChI=1S/C11H11FINO3/c1-17-11(16)9(13)6-14-10(15)7-4-2-3-5-8(7)12/h2-5,9H,6H2,1H3,(H,14,15)
InChIKeyDVYVZIXVJBTPEO-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.12
LogP ≤ 51.53
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

2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60717185
methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate
CID 104889728
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide
CID 114298974
methyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate
CID 9277655
N-(2-amino-4-methylpentyl)-2-fluorobenzamide
CID 107158830
methyl 2-iodo-3-[(2-methoxy-5-methylbenzoyl)amino]propanoate
CID 103493302
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid
CID 106108103
2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82723711
methyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate
CID 103493160
3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid
CID 62882788

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate?
The IUPAC name of methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate (CID 103493166) is methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate.
What is the SMILES notation for methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate?
The canonical SMILES for methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate is COC(=O)C(I)CNC(=O)c1ccccc1F.
What is the InChIKey of methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate?
The InChIKey is DVYVZIXVJBTPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FINO3/c1-17-11(16)9(13)6-14-10(15)7-4-2-3-5-8(7)12/h2-5,9H,6H2,1H3,(H,14,15).
What are the key properties of methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate?
methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate has a molecular weight of 351.12 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate is sourced from PubChem (CID 103493166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).